6-Cyclo-hexyl-methyl-2-cyclo-hexyl-sul-fanyl-5-isopropyl-pyrimidin-4(3H)-one.

ABSTRACT: The title compound, C(20)H(32)N(2)OS, was obtained during the course of our investigation on 2-alkylsulfanyl-6-benzyl-3,4-dihydropyrimidin-4(3H)-ones (S-DABOs) showing favourable anti-HIV-1 activity. Both cyclo-hexane rings adopt chair conformations. The angle at the methyl-ene C atom linking the pyrimidine and cyclo-hexane ring is 113.7?(3)°, which is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into dimers and stabilize the crystal structure of the compound. In addition, an intra-molecular C-H?O hydrogen bond is observed.

SUBMITTER: Zhang CS 

PROVIDER: S-EPMC2960565 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature