3-[[5-bromo-6-(2,2-dimethylpropylamino)pyrimidin-4-yl]amino]-N,4-dimethylbenzamide;3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-ethylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide;3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide;4-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-6-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrimidine-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[[5-bromo-6-(2,2-dimethylpropylamino)pyrimidin-4-yl]amino]-N,4-dimethylbenzamide;3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-ethylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide;3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide;4-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-6-[2-methyl-5-(1H-1,2,4-triazol-5-yl)anilino]pyrimidine-5-carbonitrile
• 化学式: C87H118BrN27O3S
• 分子量: 1702.0
• InChiKey: WNMDLGCMNUKPBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.42
• 重原子数：
  119
• 可旋转键数：
  30
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  423
• 氢给体数：
  11
• 氢受体数：
  27