Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(Nc2ccccc2)nc(N)n1
- InChIKey
- FHBLLCUQBZVVMP-UHFFFAOYSA-N
- 分子式
- C11H12N4
- 平均分子量
- 200.24 g/mol
- 单同位素质量
- 200.1061964
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 63.8 Ų
- 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
- 191
ALIASES
名称与别名
7781-29-52-Amino-4-phenylamino-6-methylpyrimidine6-methyl-4-N-phenylpyrimidine-2,4-diamine6-methyl-N4-phenylpyrimidine-2,4-diamineMLS000577547SMR0001855376-methyl-N~4~-phenyl-2,4-pyrimidinediamine2-amino-4-anilino-6-methylpyrimidine6-methyl-4-phenylaminopyrimidin-2-aminePyrimidine, 2-amino-4-anilino-6-methyl-CBMicro_0186822,4-Pyrimidinediamine, 6-methyl-N4-phenyl-Cambridge id 5346865Oprea1_573662Oprea1_866435cid_608203SCHEMBL3500070CHEMBL1717325BDBM73476DTXSID40345942
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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