HCID18009128

4-(4-Hydroxyanilino)-6-chloropyrimidine

4-[(6-chloropyrimidin-4-yl)amino]phenol

C10H8ClN3O221.64 g/mol

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IDENTITY

结构与身份

标准SMILES: Oc1ccc(Nc2cc(Cl)ncn2)cc1
InChIKey: RKUKETLCHBVOQF-UHFFFAOYSA-N
分子式: C10H8ClN3O
平均分子量: 221.64 g/mol
单同位素质量: 221.0355896

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 58 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 197

ALIASES

名称与别名

共 7 条

4-(4-hydroxyanilino)-6-chloropyrimidineSCHEMBL5674223RKUKETLCHBVOQF-UHFFFAOYSA-NSDCCGSBI-0663220.P001169286-91-36-chloro-4-(4'-hydroxyanilino)pyrimidineDB-294735

REACTIONS

相关反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06632820B1

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06632820B1

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06632820B1

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1999_03 · 10.6084/m9.figshare.5104873.v1 · US05880130

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