HCID21939303

[(2,4-Dichloropyrimidin-5-yl)methyl](4-methoxyphenyl)amine

N-[(2,4-dichloropyrimidin-5-yl)methyl]-4-methoxyaniline

C12H11Cl2N3O284.14 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(NCc2cnc(Cl)nc2Cl)cc1
InChIKey: PQGYYEQAVAPAFM-UHFFFAOYSA-N
分子式: C12H11Cl2N3O
平均分子量: 284.14 g/mol
单同位素质量: 283.0279174

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 47 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 249

ALIASES

名称与别名

共 7 条

SCHEMBL4692835PQGYYEQAVAPAFM-UHFFFAOYSA-N663198-35-4DB-148852[(2,4-dichloropyrimidin-5-yl)methyl](4-methoxyphenyl)amine2,4-Dichloro-N-(4-methoxyphenyl)-5-pyrimidinemethanamine[(2,4-dichloropyrimidin-5-yl)methyl]-(4-methoxyphenyl)-amine

REACTIONS

参与反应

9 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084270B2

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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