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

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 cyclo­hexane rings adopt chair conformations. The angle at the methyl­ene C atom linking the py...

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Detalles Bibliográficos
Autores principales: Zhang, Chun-Sheng, Li, Da-Xiong, Zhang, De-Hua, He, Yan-Ping, Li, Cong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960565/
https://www.ncbi.nlm.nih.gov/pubmed/21201750
http://dx.doi.org/10.1107/S1600536808025592
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author Zhang, Chun-Sheng
Li, Da-Xiong
Zhang, De-Hua
He, Yan-Ping
Li, Cong
author_facet Zhang, Chun-Sheng
Li, Da-Xiong
Zhang, De-Hua
He, Yan-Ping
Li, Cong
author_sort Zhang, Chun-Sheng
collection PubMed
description 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 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.
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spelling pubmed-29605652010-12-30 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one Zhang, Chun-Sheng Li, Da-Xiong Zhang, De-Hua He, Yan-Ping Li, Cong Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 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. International Union of Crystallography 2008-08-16 /pmc/articles/PMC2960565/ /pubmed/21201750 http://dx.doi.org/10.1107/S1600536808025592 Text en © Zhang et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhang, Chun-Sheng
Li, Da-Xiong
Zhang, De-Hua
He, Yan-Ping
Li, Cong
6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title_full 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title_fullStr 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title_full_unstemmed 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title_short 6-Cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3H)-one
title_sort 6-cyclo­hexyl­methyl-2-cyclo­hexyl­sul­fanyl-5-isopropyl­pyrimidin-4(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960565/
https://www.ncbi.nlm.nih.gov/pubmed/21201750
http://dx.doi.org/10.1107/S1600536808025592
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