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7'-Amino-1'H-spiro-[cyclo-heptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one.

ABSTRACT: The title compound, C(12)H(17)N(5)O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.

SUBMITTER: Chen S

PROVIDER: S-EPMC3414991 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Spiro-[cyclo-pentane-1,2'(1'H)-pyrido[2,3-d]pyrimidin]-4'(3'H)-one.

Project description:The title compound, C(11)H(13)N(2)O, was obtained by cyclo-condensation of 2-amino-pyridine-3-carbonitrile with cyclo-penta-none. The mol-ecule is built up from two fused six-membered rings and one five-membered ring linked through a spiro C atom. Both the pyrimidine and the cyclo-pentane rings adopt envelope conformations. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC3008029 | biostudies-literature

6'-Bromo-1'H-spiro-[cyclo-hexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one.

Project description:The title compound, C(12)H(14)BrN(3)O, is built up from two fused six-membered rings and one six-membered ring linked through a spiro C atom. The hydro-pyrimidine ring has an envelope conformation and the cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by N-H?O and N-H?N hydrogen bonds, forming a mol-ecular tape along the b axis.

| S-EPMC3254517 | biostudies-literature

cis-Cyclo-heptane-1,2-diol.

Project description:The title compound, C(7)H(14)O(2), is a vicinal diol derived from cyclo-heptane with cis-orientated hydr-oxy groups. The mol-ecules shows no non-crystallographic symmetry. The O-C-C-O torsion angles of both mol-ecules present in the asymmetric unit [-66.4 (2) and -66.9 (2)°] are similar to those in trans-configured cyclo-hexane derivatives (including pyran-oses) as well as rac-trans-cyclo-heptane-1,2-diol, but smaller than those in trans-configured cyclo-pentane derivatives (including furan-oses). In the crystal structure, O-H⋯O hydrogen bonds furnish the formation of sheets parallel to [110].

| S-EPMC2971971 | biostudies-literature

4-Amino-2,8-dimethyl-6H-pyrimido[1,2-a][1,3,5]triazin-6-one.

Project description:In the title compound, C(8)H(9)N(5)O, the mean planes through the pyrimidine and triazine rings form a dihedral angle of 2.83?(16)°. The amino group adopts a trigonal-planar configuration and forms an intra-molecular resonance-assisted N-H?O=C hydrogen bond with the carbonyl group. In the crystal, mol-ecules are linked via inter-molecular N-H?N hydrogen bonds into chains of C(2) (2)(6)[R(2) (2)(6)] motif. The molecules form two types of sheet parallel to (201) and (01), respectively.

| S-EPMC3007556 | biostudies-literature

2-Tri-fluoro-methyl-10H-benzo[4,5]imidazo[1,2-a]pyrimidin-4-one.

Project description:In the mol-ecule of the title compound, C11H6F3N3O, the three fused rings of the benzo[4,5]imidazo[1,2-a]pyrimidine unit are essentially coplanar, the maximum deviation from the mean plane being 0.096?(2)?Å. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains running along the b-axis direction.

| S-EPMC3790404 | biostudies-literature

One-pot synthesis of novel 1H-pyrimido[4,5-c][1,2]diazepines and pyrazolo[3,4-d]pyrimidines.

Project description:Novel 1H-pyrimido [4,5-c][1,2]diazepines 3 & 4 and pyrazolo [3,4-d]pyrimidines 6 were regioselectively synthesised by the reaction of 1,3-dimethyl-6-hydrazinouracils 1 with various alpha,beta-unsaturated compounds 2 and alpha-ketoalkynes 8 in excellent yields.

| S-EPMC1470455 | biostudies-literature

10'-Chloro-3',4'-dihydro-2'H-spiro-[cyclo-propane-1,7'(6'H)-pyrimido[2,1-a]isoquinolin]-6'-one.

Project description:In the title compound, C(14)H(13)ClN(2)O, the fused hydro-pyrimidine ring adopts an envelope conformation with one of the methyl-ene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44?(11)°. In the crystal, mol-ecules are linked by a weak C-H?? inter-action, forming a helical chain along the c axis.

| S-EPMC3515329 | biostudies-literature

1'-Phenyl-6'-thia-cyclo-heptane-1-spiro-2'-perhydro-pyrrolizine-3'-spiro-3''-indoline-2,2''-dione.

Project description:The thia-zolidine ring and the pyrrolidine ring in the title compound, C(25)H(26)N(2)O(2)S, both adopt an envelope conformation. The seven-membered ring has a twist-chair conformation. The crystal packing is stabilized by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2960420 | biostudies-literature

6-Methyl-sulfanyl-4H-pyrimido[1,6-a]pyrimidin-4-one.

Project description:Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system. All non-H atoms of the mol-ecule are coplanar within 0.15?Å. The bond-length distribution in the bicyclic core shows localization of the double bonds. The geometry of the intra-molecular S?O 1,5-contact [2.534?(2)?Å] is consistent with the existence of an attractive inter-action.

| S-EPMC2970259 | 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

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