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1-(2-Amino-6-methyl-pyrimidin-4-yl)-N,N-dimethyl-piperidin-4-aminium chloride.

ABSTRACT: In the title mol-ecular salt, C12H22N5(+)·Cl(-), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the pyrimidine ring is 14.00 (1)°. In the crystal, the ions are connected by N-H⋯N hydrogen bonds, forming inversion dimers, which are further connected by N-H⋯Cl hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.4790 (9) Å] are also observed in the structure.

SUBMITTER: Sreenivasa S

PROVIDER: S-EPMC3588967 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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