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3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

ABSTRACT: In the title compound, C(19)H(19)N(3)OS(2), the thio-pyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thio-phene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits an envelope conformation. The pyrimidinone and thio-phene rings are almost coplanar, forming a dihedral angle of 6.31 (15)°, while the dihedral angle between the mean planes of the phenyl ring and the pyrimidinone ring is 68.13 (10)°. In the crystal structure, adjacent mol-ecules are linked by C-H⋯O hydrogen bonds, forming a two-dimensional network in the ac plane.

SUBMITTER: Meng SM

PROVIDER: S-EPMC3007963 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Dicyclo-hexyl-amino-3-phenyl-5,6-di-hydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(27)H(33)N(3)OS(2), the dihedral angle between the two fused rings of the thieno[3,2-d]pyrimidine system is 3.73?(9)°. The phenyl ring is twisted with respect to the pyrimidine ring [dihedral angle = 71.60?(10)°] and the thio-pyran ring shows an envelope conformation with the S atom as the flap. An intra-molecular C-H?O inter-action occurs. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur.

| S-EPMC3100021 | biostudies-literature

3,5,6-Trimethyl-thieno[2,3-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(9)H(10)N(2)OS, the thienopyrimidine ring system is almost planar [greatest deviation from the mean plane = 0.0318 (13) Å for the S atom]. The crystal packing features C-H⋯O hydrogen bonds and π-π stacking inter-actions between inversion-related pairs of mol-ecules with a centroid-centroid distance of 3.530 (3) Å.

| S-EPMC3435752 | biostudies-literature

3-Phenyl-2-(piperidin-1-yl)-3,5,6,8-tetra-hydro-4H-thio-pyrano[3',4':2,3]thieno[5,4-d]pyrimidin-4-one.

Project description:In the title compound, C(20)H(21)N(3)OS(2), the piperidinyl ring has a distorted chair conformation. Weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The crystal packing exhibits short inter-molecular S⋯S distances of 3.590 (2) Å.

| S-EPMC2959906 | biostudies-literature

6-Benzyl-3-[(6-chloro-pyridin-3-yl)meth-yl]-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine.

Project description:The title compound, C(17)H(14)ClN(7), crystallizes with two independent mol-ecules in the asymmetric unit. Inter-molecular N-H⋯N and C-H⋯N hydrogen bonds contribute to the stability of the crystal structure. In addition, weak C-H⋯π and π-π stacking [centroid-centroid distances of 3.699 (8) and 3.699 (6) Å] interactions are observed.

| S-EPMC3238975 | biostudies-literature

7-(Benzyl-sulfan-yl)-5-(2-methoxy-phen-yl)-1,3-dimethyl-5,6-dihydro-pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione.

Project description:In the mol-ecule of the title compound, C(22)H(22)N(4)O(3)S, the benzene and phenyl rings are oriented at a dihedral angle of 88.72?(4)°. The other two rings have flattened-boat conformations. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2960738 | biostudies-literature

7-Benzyl-3-(4-fluoro-phen-yl)-2-propyl-amino-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089?Å), with a maximum deviation of 0.0261?(17)?Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73?(3) and 81.56?(5)° with the adjacent benzyl and fluoro-phenyl rings, respectively. Inter-molecular N-H?F and C-H?F hydrogen bonding, as well as C-F?? inter-actions [F?centroid = 3.449?(3)?Å; C-F?centroid = 91.87?(15)°], help to stabilize the crystal structure.

| S-EPMC3344049 | biostudies-literature

7-Benzyl-2-[(cyclo-propyl-meth-yl)amino]-3-phenyl-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(26)H(26)N(4)OS. In each mol-ecule, the thienopyrimidine fused-ring system is essentially planar with a maximum deviation of 0.0409?(18) for the N atom. In one mol-ecule, this ring system forms diherdral angles of 84.8?(1) and 67.6?(1)° with the adjacent phenyl and benzyl rings, respectively, while the corresponding angles in the other mol-ecule are 77.9?(1) and 66.5?(1)°.

| S-EPMC3213622 | biostudies-literature

3-Butyl-2-propyl-amino-1-benzo-thieno[3,2-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(17)H(21)N(3)OS, the propyl and butyl groups are disordered over two positions; site occupation factors are 0.304?(10) and 0.696?(10). The three fused rings are coplanar. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules. Further stability is provided by offset ?-? stacking inter-actions. Adjacent thienophene-pyrimidine and pyrimidine-benzene rings have centroid-centroid distances of 3.96?(1) and 3.55?(2)?Å, respectively.

| S-EPMC2915000 | biostudies-literature

Studies on the reactivity of (9-Methyl-5,6-dihydronaphtho[1a,2a:4,5]-thieno[2,3-d]pyrimidin-11-yl)hydrazine towards some reagents for biological evaluation.

Project description:(9-Methyl-5,6-dihydronaphtho[1â,2â:4,5]thieno[2,3-d]pyrimidin-11-yl)hydrazine (1) was used as a precursor for preparation of some novel 1-(9-methyl-5,6-dihydronaphtho[1â,2â:4,5]thieno[2,3-d]pyrimidin-11-yl)-1H-pyrazoles 2â7, -1H-isoindole-1,3(2H)-dione 8, and -pyridazin-3(2H)-one 9. Moreover, the acyclic C-nucleosides 10 and 11 were prepared by treating compound 1 with D-glucose. The in vitro antimicrobial activity of the tested compounds was evaluated by measuring the zone diameters and some of the prepared products showed potent antimicrobial activity in compared with those of well known drugs (standard). In general, the non-acetylated sugar hydrazone derivative 10 showed the highest antibacterial and antifungal potency among the tested compounds and standard with IZ = 22, 21 and 22 mm and MIC = 62.5 and 31.25 Îg/ml, respectively.

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2,4-Diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine.

Project description:The asymmetric unit of the title compound, C(20)H(17)N(3), contains two crystallographically independent mol-ecules (A and B). In mol-ecule A, the two benzene rings form dihedral angles of 74.12 (7) and 7.83 (7)° with the pyridine ring, while in mol-ecule B these angles are 77.48 (7) and 21.50 (7)°. The seven-membered heterocyclic ring adopts a boat conformation in both mol-ecules. In the crystal structure, each of the independent mol-ecules forms a centrosymmetric R(2) (2)(8) dimer linked by paired N-H⋯N hydrogen bonds. The crystal structure is further stabilized by inter-molecular C-H⋯N hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2977810 | biostudies-literature

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