[1-[2-Amino-5-[2-[2-amino-4-(4-carbamoylpiperidin-1-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-1-ium-1-yl]-2-methylpropan-2-yl] 4-[2-amino-5-[2-(6-aminopyridin-3-yl)ethynyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [1-[2-Amino-5-[2-[2-amino-4-(4-carbamoylpiperidin-1-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-1-ium-1-yl]-2-methylpropan-2-yl] 4-[2-amino-5-[2-(6-aminopyridin-3-yl)ethynyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
• 英文别名: [1-[2-amino-5-[2-[2-amino-4-(4-carbamoylpiperidin-1-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-1-ium-1-yl]-2-methylpropan-2-yl] 4-[2-amino-5-[2-(6-aminopyridin-3-yl)ethynyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
• 化学式: C39H47N14O3+
• 分子量: 759.9
• InChiKey: ZYWQOGNNDCAUEM-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  56
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  252
• 氢给体数：
  5
• 氢受体数：
  14