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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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2-Amino-4,6-dimethyl-pyrimidin-1-ium chloride.

Project description:In the title compound, C6H10N3(+)·Cl(-), the cation is essentially planar with an r.m.s. deviations of the fitted atoms of 0.008 Å. In the crystal, adjacent ions are linked by weak N-H⋯Cl hydrogen bonds involving the pyrimidine and amine N atoms, forming a three-dimensional network. C-H⋯π inter-actions between the methyl and pyrimidine groups and π-π stacking [centroid-centroid distance = 3.474 (1) Å] between parallel pyrimidine ring systems are also observed.

| S-EPMC3588968 | 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

Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

| S-EPMC2983405 | biostudies-literature

N-[2-(4-Methyl-benzo-yl)eth-yl]propan-2-aminium chloride.

Project description:In the title compound, C(13)H(20)NO(+)·Cl(-), the protonated amino N atom is hydrogen bonded to the chloride anion. N-H?Cl hydrogen bonds link the anions and cations into dimers, which are connected by C-H?O hydrogen bonds, forming supra-molecular chains extending along [100].

| S-EPMC3435724 | biostudies-literature

3-(4-Bromo-phen-yl)-N,N-dimethyl-3-oxopropan-1-aminium chloride.

Project description:The title compound, C(11)H(15)BrNO(+)·Cl(-), was obtained as a precursor within our current program for the synthesis of new ?-amino-alcohols via a Mannich-type reaction. The protonated amino N atom is hydrogen bonded to the chloride anion. With exception of one methyl group, the cation is approximately planar (r.m.s. deviation for all non H-atoms = 0.069?Å).

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2-(3-{(3R,4R)-4-Methyl-3-[meth-yl(7H-pyrrolo-[2,3-d]pyrimidin-4-yl)amino]-piperidin-1-yl}oxetan-3-yl)aceto-nitrile monohydrate.

Project description:In the title compound, C18H24N6O·H2O, the piperidine ring adopts a chair conformation with an N-C-C-C torsion angle of 39.5?(5)° between the cis-related substituents. The pyrrole N-H group forms a water-mediated inter-molecular hydrogen bond to one of the N atoms of the annelated pyrimidine ring. The water mol-ecule connects two organic mol-ecules and is disorderd over two positions (occupancies of 0.48 and 0.52). The crystal packing shows zigzag chains of alternating organic and water mol-ecules running parallel to the a axis.

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Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.

Project description:A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine (L1) is reported. The single-crystal X-ray structure of aqua-[aqua/chlorido-(0.49/0.51)](2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal-chelate ring is in a boat conformation, and short inter-molecular S⋯S inter-actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra-molecular inter-actions as both a hydrogen-bond donor and acceptor, and multiple inter-actions with lattice solvent water mol-ecules are present in the reported structure.

| S-EPMC5730312 | biostudies-literature

2-Cyclo-hexyl-4-[(3,5-dimethyl-piperidin-1-yl)meth-yl]-5-methyl-phenol.

Project description:The title compound, C(21)H(33)NO, crystallizes with three independent mol-ecules in the asymmetric unit. The cyclo-hexane and piperidine rings adopt chair conformations. The crystal packing is stabilized by inter-molecular O-H?N and C-H?O hydrogen bonds, and by weak ?-? stacking inter-actions [centroid-centroid distance = 3.876?(2)?Å].

| S-EPMC2968627 | biostudies-literature

6-Amino-4-(3-iodo-anilino)-2-methyl-pyrimidin-1-ium chloride.

Project description:In the cation of the title salt, C(11)H(12)IN(4) (+)·Cl(-), the two aromatic rings are oriented to each other at 9.3?(2)°. In the crystal, the two independent Cl(-) anions lie on twofold rotation axes. N-H?Cl hydrogen bonds between the cations and anions generate a supra-molecular layer parallel to (010).

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2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-(4-methyl-pyridin-2-yl)acetamide.

Project description:The non-H atoms of the title mol-ecule, C(14)H(16)N(4)OS, are coplanar, with an r.m.s. deviation of 0.039?Å. The dihedral angle between the two aromatic rings is 2.4?(2)°. An intra-molecular C-H?O hydrogen bond is observed. The mol-ecules exist as N-H?N hydrogen-bonded centrosymmetric dimers.

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