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

ABSTRACT: 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.

SUBMITTER: Huang Q

PROVIDER: S-EPMC2970259 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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

Huang Quinhua Q Richardson Paul F PF Rui Eugene E Rheingold Arnold L AL Yanovsky Alex A

Acta crystallographica. Section E, Structure reports online 20090930 Pt 10

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 ...[more]

PMID: 21578009

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