HCID136341888

6-(5-Chloro-2-methoxyphenyl)-2-methylpyrimidin-4-ol

4-(5-chloro-2-methoxyphenyl)-2-methyl-1H-pyrimidin-6-one

C12H11ClN2O2250.68 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cl)cc1-c1cc(=O)[nH]c(C)n1
InChIKey: QBKHHVWOCARFAO-UHFFFAOYSA-N
分子式: C12H11ClN2O2
平均分子量: 250.68 g/mol
单同位素质量: 250.0509053

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 50.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 379

ALIASES

名称与别名

共 9 条

6-(5-chloro-2-methoxyphenyl)-2-methylpyrimidin-4-ol774607-91-94-(5-chloro-2-methoxyphenyl)-2-methyl-1H-pyrimidin-6-onestarbld0020688SCHEMBL4282187QBKHHVWOCARFAO-UHFFFAOYSA-NAKOS026714729F1967-40616-(5-chloro-2-methoxy-phenyl)-2-methyl-3H-pyrimidin-4-one

REACTIONS

参与反应

3 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419984B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419984B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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