2-benzyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one | 896933-66-7

• 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-benzyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
• CAS: 896933-66-7
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: GMCZGCLEGAMVLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-benzyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one 在 N,N-二乙基苯胺 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  First dual M3 antagonists-PDE4 inhibitors: Synthesis and SAR of 4,6-diaminopyrimidine derivatives

  摘要：

  SAR around 4,6-diaminopyrimidine derivatives allowed the discovery of the first potent dual M-3 antagonists and PDE4 inhibitors. Various chemical modulations around that scaffold led to the discovery of ucb-101333-3 which is characterized by the most interesting profile on both targets. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.006
• 作为产物：
  描述：

  苯乙脒 、 甲基丙二酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-benzyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
  参考文献：
  名称：

  First dual M3 antagonists-PDE4 inhibitors: Synthesis and SAR of 4,6-diaminopyrimidine derivatives

  摘要：

  SAR around 4,6-diaminopyrimidine derivatives allowed the discovery of the first potent dual M-3 antagonists and PDE4 inhibitors. Various chemical modulations around that scaffold led to the discovery of ucb-101333-3 which is characterized by the most interesting profile on both targets. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.006