Acta Cryst. (2008). E64, o1768  [ doi:10.1107/S1600536808025592 ]

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

C.-S. Zhang, D.-X. Li, D.-H. Zhang, Y.-P. He and C. Li

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-HO hydrogen bonds link the molecules into dimers and stabilize the crystal structure of the compound. In addition, an intramolecular C-HO hydrogen bond is observed.

Online 16 August 2008

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