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

ABSTRACT: 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.

SUBMITTER: Li ZJ

PROVIDER: S-EPMC2960917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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Project description: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.

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

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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].

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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.

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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.

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2-Chloro-6-methyl-pyrimidin-4-amine.

Project description:In the crystal structure of the title compound, C5H6ClN3, mol-ecules are linked by pairs of N-H?N hydrogen bonds, forming inversion dimers. These dimers are linked via N-H?N hydrogen bonds, forming a two-dimensional network lying parallel to (100). Inversion-related mol-ecules are also linked via a slipped ?-? inter-action, with a centroid-centroid distance of 3.5259?(11)?Å, a normal separation of 3.4365?(7)?Å and a slippage of 0.789?Å.

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N-(3-Methyl-phen-yl)pyrimidin-2-amine.

Project description:Two independent mol-ecules comprise the asymmetric unit in the title compound, C(11)H(11)N(3). These differ in terms of the relative orientations of the aromatic rings: the first is somewhat twisted, while the second is approximately planar [dihedral angles between the pyrimidine and phenyl rings = 39.00?(8) and 4.59?(11)°]. The mol-ecules also form distinct patterns in their hydrogen bonding. The first independent mol-ecule forms centrosymmetric dimers featuring an eight-membered {HNCN}(2) synthon. The second independent mol-ecule forms an N-H?N hydrogen bond with the other pyrimidine N atom of the first mol-ecule. Thereby, tetra-meric aggregates are formed. These associate via C-H?N and C-H?? inter-actions, consolidating the crystal packing.

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