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4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

ABSTRACT: Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489?(2)Å, indicating ?-? stacking inter-actions.

SUBMITTER: Bukhari MH

PROVIDER: S-EPMC2961462 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

Bukhari Mujahid Hussain MH Siddiqui Hamid Latif HL Chaudhary Muhammad Ashraf MA Hussain Tanvir T Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489 (2)Å, indicating π-π stacking inter-actions. ...[more]

PMID: 21202693

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(4-Fluoro-phen-yl)[6-(2-fur-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl]methanone.

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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.

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

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4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

Project description:In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99?(4)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H?S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face ?-? stacking inter-actions in a zigzag fashion along the c axis, with perpendicular ring distances of 3.463 and 3.639?Å, and a dihedral angle between the planes of 3.99?(2)°. The distance between the ring centroids is 4.420?(2)?Å.

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

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Project description:In the title compound, C(15)H(14)N(4), the pyrido[2,3-d]pyrimidine system is almost ideally planar (r.m.s. deviation 0.028?Å) with its mean plane almost orthogonal to the 2,6-dimethyl-phenyl plane. The dihedral angle formed by these planes [87.3?(2)°] is close to the predicted value (89.7°) obtained by mol-ecular-mechanics force-field calculations. Only one of the two active amine H atoms participates in hydrogen bonding, which links mol-ecules into centrosymmetric dimers.

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(4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine.

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