1-(4-fluorobenzyl)-3-methyl-6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimido[5,4-d]pyrimidin-2,4(1H,3H)-dione | 1207378-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-(4-fluorobenzyl)-3-methyl-6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimido[5,4-d]pyrimidin-2,4(1H,3H)-dione
• 英文别名: 1-(4-fluorobenzyl)-3-methyl-6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimido[5,4-d]pyrimidine-2,4(1H,3H)-dione；1-[(4-Fluorophenyl)methyl]-3-methyl-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimido[5,4-d]pyrimidine-2,4-dione
• CAS: 1207378-57-1
• 化学式: C₂₇H₂₉FN₆O₃
• 分子量: 504.564
• InChiKey: JTIUPJAURXSZTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same
  申请人：Showalter H.D. H.

  公开号：US20110166144A1

  公开（公告）日：2011-07-07

  The present disclosure is directed to pyrimidotriazinediones and pyrimidopyrimidinediones having a formula (I), (II), or (III), or a mixture or pharmaceutically acceptable salt or hydrate thereof, and to methods of treating cancer comprising administering the same.