HCID9992376

4-Chloro-N-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine

C12H11ClFN3251.69 g/molCAS 199463-20-2

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IDENTITY

结构与身份

标准SMILES: Cc1nc(Nc2ccc(F)cc2)nc(Cl)c1C
InChIKey: GXCRXDFXVDTHGZ-UHFFFAOYSA-N
分子式: C12H11ClFN3
平均分子量: 251.69 g/mol
单同位素质量: 251.0625532

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 37.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 246

ALIASES

名称与别名

共 18 条

199463-20-24-Chloro-N-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine2-Pyrimidinamine, 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-4-chloro-2-(4-fluorophenylamino)-5,6-dimethylpyrimidineMFCD16993806SCHEMBL7257793DTXSID50433844GXCRXDFXVDTHGZ-UHFFFAOYSA-N4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-pyrimidin-2-amineAKOS024262431SB58859AS-92043DA-23116FC103037SY387446CS-0449227H27308F771673

REACTIONS

相关反应

21 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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