Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-Benzyl-4-methyl-6-phenyl-pyrimidin-2-amine.

ABSTRACT: In the title compound, C(18)H(17)N(3), the dihedral angles between the central pyrimidine ring and its directly-bonded and N-bonded pendant phenyl rings are 25.48?(6) and 80.33?(6)°, respectively. The dihedral angle between the phenyl rings is 79.66?(6)°. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds generate R(2) (2)(8) loops. The crystal structure also features weak ?-? [centroid-centroid separation = 3.6720?(7)?Å] and C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3247345 | biostudies-other | 2011 Nov

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-Benzyl-4-methyl-6-phenyl-pyrimidin-2-amine.

Fun Hoong-Kun HK Hemamalini Madhukar M Hazra Anita A Goswami Shyamaprosad S

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

In the title compound, C(18)H(17)N(3), the dihedral angles between the central pyrimidine ring and its directly-bonded and N-bonded pendant phenyl rings are 25.48 (6) and 80.33 (6)°, respectively. The dihedral angle between the phenyl rings is 79.66 (6)°. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R(2) (2)(8) loops. The crystal structure also features weak π-π [centroid-centroid separation = 3.6720 (7) Å] and C-H⋯π inter-actions. ...[more]

PMID: 22219963

Similar Datasets

4-Methyl-6-phenyl-pyrimidin-2-amine.

Project description:The title compound, C(11)H(11)N(3), was synthesized as part of our research into functionalized pyrimidines. It crystallizes with two independent mol-ecules in the asymmetric unit that differ only in the twist between the two aromatic rings; the torsion angles between the rings are 29.9 (2) and 45.1 (2)°. The crystal packing is dominated by inter-molecular N-H⋯N hydrogen bonds between independent and equivalent mol-ecules, forming an infinite three-dimensional network.

| S-EPMC2960917 | biostudies-literature

N-Butyl-4-methyl-6-phenyl-pyrimidin-2-amine.

Project description:In the title compound, C(15)H(19)N(3), the pyrimidine ring is approximately planar [maximum deviation = 0.007?(1)?Å] and forms a dihedral angle of 3.15?(6)° with the benzene ring. In the crystal packing, inter-molecular N-H?N hydrogen bonds link pairs of neighbouring mol-ecules into dimers with R(2) (2)(8) ring motifs. These dimers are stacked along the b axis.

| S-EPMC2984044 | biostudies-literature

N-Benzyl-thieno[3,2-d]pyrimidin-4-amine.

Project description:The title compound, C13H11N3S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49?(4) and 79.05?(3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012?Å). In the crystal, mol-ecules are linked through N-H?N, N-H?C and C-H?? non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-H?N inter-actions.

| S-EPMC3648234 | biostudies-literature

5-[(4-Fluoro-anilino)meth-yl]-6-methyl-N-(4-methyl-phen-yl)-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C(25)H(23)FN(4), the pyrimidine ring makes dihedral angles of 11.3?(2), 24.5?(2) and 70.1?(2)° with the phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H?N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C-H?F hydrogen bonds link two mol-ecules into an inversion dimer with an R(2) (2)(16) motif. In the dimer, there is also an inter-molecular ?-? stacking inter-action [centroid-centroid distance = 3.708?(4)?Å] between the fluorinated benzene rings. The dimers are further linked by a C-H?? inter-action, so forming a column along the c axis.

| S-EPMC3470299 | biostudies-literature

6-Chloro-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C(11)H(9)ClN(4)O(2), the dihedral angle between the aromatic rings is 79.67?(8)°. ?-? stacking between centrosymmetrically related pairs of pyrimidine rings occurs along [100] [centroid-centroid separations = 3.4572?(8) and 3.5433?(7)?Å].

| S-EPMC3201521 | biostudies-other

5-[(3,5-Dichloro-anilino)meth-yl]-N-(3,5-dichloro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of inter-molecular N-H⋯N hydrogen bonds connect two mol-ecules, forming inversion dimers with R2(2)(12) motifs. C-H⋯π inter-actions links the dimers into a chain running along the a-axis direction. There are also π-π stacking inter-actions [centroid-centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.

| S-EPMC3588999 | biostudies-literature

4-Methyl-6-(piperidin-1-yl)pyrimidin-2-amine.

Project description:The title compound, C(10)H(16)N(4), crystalizes with two mol-ecules (A and B) in the asymmetric unit in which the dihedral angles between the piperidine and pyrimidine rings are 47.5?(1) and 10.3?(1)°. The four C atoms of the pyrimidine ring in one of the mol-ecules are disordered over two sets of sites with occupancy factors 0.508?(11):0.492?(11). In the crystal, the A mol-ecules are linked to one another through N-H?N hydrogen bonds, generating R(2) (2)(8) ring patterns and forming inversion dimers. These dimers are further connected on either side to a B molecule through pairs of N-H?N hydrogen bonds, resulting in a tetra-meric unit.

| S-EPMC3569258 | biostudies-literature

5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular N-H?N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4?(2), 28.4?(2) and 77.5?(2)°, respectively, in mol-ecule A, and 15.9?(2), 2.7?(2) and 61.8?(2)° in mol-ecule B. Inter-molecular N-H?N hydrogen bonds and ?-? stacking inter-actions between pyrimidine rings [centroid-centroid distance = 3.692?(4)?Å] connect mol-ecules A and B into dimers and C-H?O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900?(2).

| S-EPMC3379319 | biostudies-literature

N-[2-(Phenyl-sulfon-yl)eth-yl]benzyl-amine.

Project description:The title compound, C(15)H(17)NO(2)S, exhibits intra-molecular hydrogen bonding between the amine H atom and a sulfonyl O atom. The conformation of the mol-ecule is described by the four PhCH(2)-NH-CH(2)-CH(2)-SO(2)Ph torsion angles of 79.6?(2), -166.21?(14), -70.29?(17) and -58.93?(13)°.

| S-EPMC3470312 | biostudies-literature

5-Bromo-N-methyl-pyrimidin-2-amine.

Project description:In the title mol-ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007?Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032?(1) and 0.009?(5)?Å, respectively], while the methyl C atom lies 0.100?(15)?Å from this plane with a dihedral angle between the pyrimidine ring and the methyl-amine group of 4.5?(3)°. In the crystal, C-H?N, C-H?Br and N-H?N hydrogen bonds link the mol-ecules into a two-dimensional network in the (011) plane.

| S-EPMC3254458 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data