HCID14338585

2-(Methylsulfanyl)-5-[(pyridin-4-yl)methyl]pyrimidin-4(3H)-one

2-methylsulfanyl-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

C11H11N3OS233.29 g/molCAS 64107-41-1

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IDENTITY

结构与身份

标准SMILES: CSc1ncc(Cc2ccncc2)c(=O)[nH]1
InChIKey: CDXLMOHXDMHKOQ-UHFFFAOYSA-N
分子式: C11H11N3OS
平均分子量: 233.29 g/mol
单同位素质量: 233.06228316

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 79.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 332

ALIASES

名称与别名

共 8 条

64107-41-12-(Methylthio)-5-(pyridin-4-ylmethyl)pyrimidin-4(1H)-oneSCHEMBL10735501DTXSID30559076CDXLMOHXDMHKOQ-UHFFFAOYSA-N2-methylthio-5-(4-pyridylmethyl)-4-pyrimidone5-(4-pyridylmethyl)-2-methylthio-4-pyrimidone2-(Methylsulfanyl)-5-[(pyridin-4-yl)methyl]pyrimidin-4(3H)-one

REACTIONS

参与反应

14 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154834

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154834

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154834

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154834

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uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04548940

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