2-amino-4-(coumarin-3-yl)-6-(4-chlorophenyl)pyrimidine | 1318172-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-4-(coumarin-3-yl)-6-(4-chlorophenyl)pyrimidine
• 英文别名: 3-(2-amino-6-(4-chlorophenyl)pyrimidin-4-yl)-2H-chromen-2-one；3-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]chromen-2-one
• CAS: 1318172-26-7
• 化学式: C₁₉H₁₂ClN₃O₂
• 分子量: 349.776
• InChiKey: NEVFKBJLXPUENS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-乙酰基香豆素 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 2-amino-4-(coumarin-3-yl)-6-(4-chlorophenyl)pyrimidine
  参考文献：
  名称：

  Analgesic study of novel pyrimidine derivatives linked with coumarin moiety

  摘要：

  A novel series of 2-amino-4-(coumarin-3-yl)-6-substituted phenyl pyrimidines (5a-h) were synthesized from 3-acetylcoumarin (3). The structures of the synthesized compounds were elucidated by I.R., H-1 NMR, C-13 NMR, and Mass spectroscopic techniques. The synthesized compounds were screened for in vivo analgesic activities at a dose of 20 mg/kg body weight (b.w). Among them, compounds 5b and 5h exhibited significant analgesic activity comparable with control as well as standard drug diclofenac sodium using acetic acid-induced writhing model.

  DOI：

  10.1007/s00044-011-9675-4