Cyclopropyl-[2-cyclopropyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrimidin-4-yl]-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: Cyclopropyl-[2-cyclopropyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrimidin-4-yl]-amine
• 英文别名: N,2-dicyclopropyl-6-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methylpyrimidin-4-amine；N,2-dicyclopropyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-amine
• 化学式: C₂₀H₂₄N₄
• 分子量: 320.437
• InChiKey: AYACAXMPYSGUQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-cyclopropyl-4,6-dichloro-5-methyl-pyrimidine 生成 Cyclopropyl-[2-cyclopropyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrimidin-4-yl]-amine
  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

文献信息

• First dual M3 antagonists-PDE4 inhibitors: Synthesis and SAR of 4,6-diaminopyrimidine derivatives
  作者：Laurent Provins、Bernard Christophe、Pierre Danhaive、Jacques Dulieu、Véronique Durieu、Michel Gillard、Florence Lebon、Sébastien Lengelé、Luc Quéré、BerendJan van Keulen

  DOI：10.1016/j.bmcl.2006.01.006

  日期：2006.4

  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.