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4-Chloro-6-meth-oxy-pyrimidin-2-amine.

ABSTRACT: The title compound, C5H6ClN3O, is essentially planar with a maximum deviation of 0.0256 (11) Å for all non-H atoms. In the crystal, adjacent mol-ecules are linked by a pair of N-H⋯N hydrogen bonds, forming an inversion dimer with an R2(2)(8) ring motif. The dimers are further linked via N-H⋯O hydrogen bonds into an undulating sheet structure parallel to the bc plane.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588926 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Chloro-6-meth-oxy-pyrimidin-2-amine-succinic acid (2/1).

Project description:The asymmetric unit of the title compound, 2C5H6ClN3O·C4H6O4, consists of one 4-chloro-6-meth-oxy-pyrimidin-2-amine mol-ecule and one half-mol-ecule of succinic acid which lies about an inversion centre. In the crystal, the acid and base mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, forming a tape along [1-10] in which R2(2)(8) and R4(2)(8) hydrogen-bond motifs are observed. The tapes are further inter-linked through a pair of C-H⋯O hydrogen bonds into a sheet parallel to (11-2).

| S-EPMC3588944 | biostudies-literature

2-Chloro-8-methyl-3-[(pyrimidin-4-yl-oxy)meth-yl]quinoline.

Project description:In the title compound, C(15)H(12)ClN(3)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.017?(1)?Å. The crystal packing is stabilized by ?-? stacking inter-actions between the quinoline rings of adjacent mol-ecule, with a centroid-centroid distance of 3.5913?(8)?Å. A weak C-H?? contact is also observed between mol-ecules.

| S-EPMC2979073 | biostudies-literature

2-Chloro-pyrimidin-4-amine.

Project description:In the title pyrimidine derivative, C(4)H(4)ClN(3), the 2-chloro and 4-amino substituents almost lie in the mean plane of the pyrimidine ring, with deviations of 0.003 (1) Å for the Cl atom, and 0.020 (1) Å for the N atom. In the crystal, molecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers. These dimers are further linked via N-H⋯N hydrogen bonds, forming an undulating two-dimensional network lying parallel to (100).

| S-EPMC3274995 | biostudies-literature

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04?(12) and 75.99?(9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56?(15)° between them. They are also involved in an intra-molecular ?-? stacking inter-action with a distance of 3.6627?(18)?Å between the ring centroids. In the crystal, C-H?O contacts link the mol-ecules into chains along the b axis.

| S-EPMC3344196 | biostudies-literature

6-Chloro-N-(2-meth-oxy-phen-yl)pyridazin-3-amine.

Project description:The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5?(2)°, whereas in mol-ecule B it is 27.93?(7)°. In mol-ecule B, an intramolecular N-H?O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H?N hydrogen bonds. The ?-? inter-actions between the pyridazine rings of A mol-ecules [3.4740?(13)?Å] and B mol-ecules [3.4786?(17)?Å] have very similar centroid-centroid separations. ?-? Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676?(2)?Å and a slippage of 1.02?Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H?N and C-H?Cl interactions.

| S-EPMC3275194 | biostudies-literature

5-Bromo-2-chloro-pyrimidin-4-amine.

Project description:In the title compound, C4H3BrClN3, the pyrimidine ring is essentially planar (r.m.s. deviation from the plane = 0.087 Å). In the crystal, pairs of N-H⋯N hydrogen bonds connect the mol-ecules into inversion dimers; these are connected by further N-H⋯N hydrogen bonds into a two-dimensional framework parallel to the bc plane.

| S-EPMC3629628 | biostudies-literature

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

Project description:The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853?(4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1?(2), 37.5?(2) and 70.7?(2)°, respectively, in mol-ecule A, and 9.3?(2), 5.3?(2) and 79.7?(2)° in mol-ecule B. An intra-molecular N-H?N hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-H?N hydrogen bonds, with a resulting R 2 (2)(12) ring motif and ?-? stacking inter-actions [centroid-centroid distance = 3.517?(4)?Å] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-H?O hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

| S-EPMC3885078 | biostudies-literature

5-Chloro-pyrimidin-2-amine.

Project description:The complete mol-ecule of the title compound, C(4)H(3)ClN(3), is generated by crystallographic mirror symmetry, with the Cl atom, one N atom and two C atoms lying on the reflecting plane. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains propagating in [100].

| S-EPMC2971243 | biostudies-other

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

1,4-Bis(6-chloro-pyrimidin-4-yl-oxy)benzene.

Project description:In the title compound, C(14)H(8)Cl(2)N(4)O(2), all atoms of the 6-chloro-pyrimidin-4-yl-oxy group and the C atoms at the para positions of the central benzene ring lie on a crystallographic mirror plane. The complete benzene ring is generated by the mirror plane and hence the dihedral angles between the pyrimidine rings and the benzene ring are exactly 90°. The crystal structure is stabilized by weak C-H?O and C-H?N hydrogen bonds.

| S-EPMC2968353 | biostudies-literature

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