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（R）-N-甲基-4-[2-（甲基硫烷基）嘧啶-4-基]-1-（四氢呋喃-3-基）-1H-吡唑-5-胺

(R)-N-Methyl-4-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.

作者信息

Liu Zhengyu, Liu Kevin K-C, Elleraas Jeff, Rheingold Arnold L, Dipasquale Antonio, Yanovsky Alex

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o616. doi: 10.1107/S1600536809006369.

DOI:10.1107/S1600536809006369
PMID:21582268
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968494/
Abstract

The chiral center at the substituted atom of the tetra-hydro-furanyl ring in the title compound, C(13)H(17)N(5)OS, has an R configuration. The methyl-sulfanylpyrimidine group and the pyrazole ring are almost coplanar [the maximum deviation from this plane is 0.070 (4) Å], the N-Me substituent being displaced from the methyl-sulfanylpyrimidine-pyrazole plane by 0.880 (4) Å. The secondary amine group participates in an intra-molecular hydrogen bond with the pyrimidine N atom in position 3.

摘要

标题化合物C(13)H(17)N(5)OS中四氢呋喃环取代原子上的手性中心具有R构型。甲硫基嘧啶基团和吡唑环几乎共面[与该平面的最大偏差为0.070 (4) Å]，N-Me取代基偏离甲硫基嘧啶-吡唑平面0.880 (4) Å。仲胺基团与3位嘧啶N原子形成分子内氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a434/2968494/581bcd3579ca/e-65-0o616-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a434/2968494/581bcd3579ca/e-65-0o616-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a434/2968494/581bcd3579ca/e-65-0o616-fig1.jpg

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