6-Cyclohexylmethyl-2-cyclohexylsulfanyl-5-isopropylpyrimidin-4(3H)-one

Abstract

The title compound, C20H32N2OS, 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 cyclohexane rings adopt chair conformations. The angle at the methylene C atom linking the pyrimidine and cyclohexane ring is 113.7 (3)°, which is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. Intermolecular N—H...O hydrogen bonds link the molecules into dimers and stabilize the crystal structure of the compound. In addition, an intramolecular C—H...O hydrogen bond is observed.