6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one

In the title compound, C(21)H(26)N(2)O(2)S, the cyclo­hexane ring adopts a chair conformation. The angle at the methyl­ene bridge linking the pyrimidine and cyclo­hexane rings is 113.41 (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibi...

Descripción completa

Detalles Bibliográficos
Autores principales: Yan, Wan-Lu, Guo, Qiong, Li, Cong, Ji, Xiao-Ying, He, Yan-Ping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051611/
https://www.ncbi.nlm.nih.gov/pubmed/21523182
http://dx.doi.org/10.1107/S1600536811003175
_version_ 1782199520179781632
author Yan, Wan-Lu
Guo, Qiong
Li, Cong
Ji, Xiao-Ying
He, Yan-Ping
author_facet Yan, Wan-Lu
Guo, Qiong
Li, Cong
Ji, Xiao-Ying
He, Yan-Ping
author_sort Yan, Wan-Lu
collection PubMed
description In the title compound, C(21)H(26)N(2)O(2)S, the cyclo­hexane ring adopts a chair conformation. The angle at the methyl­ene bridge linking the pyrimidine and cyclo­hexane rings is 113.41 (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. In the crystal, mol­ecules are connected into centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds.
format Text
id pubmed-3051611
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30516112011-04-26 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one Yan, Wan-Lu Guo, Qiong Li, Cong Ji, Xiao-Ying He, Yan-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(26)N(2)O(2)S, the cyclo­hexane ring adopts a chair conformation. The angle at the methyl­ene bridge linking the pyrimidine and cyclo­hexane rings is 113.41 (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. In the crystal, mol­ecules are connected into centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds. International Union of Crystallography 2011-01-29 /pmc/articles/PMC3051611/ /pubmed/21523182 http://dx.doi.org/10.1107/S1600536811003175 Text en © Yan et al. 2011 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
Yan, Wan-Lu
Guo, Qiong
Li, Cong
Ji, Xiao-Ying
He, Yan-Ping
6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title_full 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title_fullStr 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title_full_unstemmed 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title_short 6-Cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3H)-one
title_sort 6-cyclo­hexyl­meth­yl-5-ethyl-2-[(2-oxo-2-phenyl­eth­yl)sulfan­yl]pyrimidin-4(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051611/
https://www.ncbi.nlm.nih.gov/pubmed/21523182
http://dx.doi.org/10.1107/S1600536811003175
work_keys_str_mv AT yanwanlu 6cyclohexylmethyl5ethyl22oxo2phenylethylsulfanylpyrimidin43hone
AT guoqiong 6cyclohexylmethyl5ethyl22oxo2phenylethylsulfanylpyrimidin43hone
AT licong 6cyclohexylmethyl5ethyl22oxo2phenylethylsulfanylpyrimidin43hone
AT jixiaoying 6cyclohexylmethyl5ethyl22oxo2phenylethylsulfanylpyrimidin43hone
AT heyanping 6cyclohexylmethyl5ethyl22oxo2phenylethylsulfanylpyrimidin43hone

Ejemplares similares