N-(5-(tert-butyl)-2-methylphenyl)-2-chloro-6-(2-(dimethylamino)ethoxy)pyrimidin-4-amine | 1218996-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N-(5-(tert-butyl)-2-methylphenyl)-2-chloro-6-(2-(dimethylamino)ethoxy)pyrimidin-4-amine
• CAS: 1218996-43-0
• 化学式: C₁₉H₂₇ClN₄O
• 分子量: 362.903
• InChiKey: RSUGCLRHXHCNFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  50.28
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基苯基)-2,2-二甲基哌嗪 、 N-(5-(tert-butyl)-2-methylphenyl)-2-chloro-6-(2-(dimethylamino)ethoxy)pyrimidin-4-amine 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 N-(5-tert-butyl-2-methylphenyl)-6-[2-(dimethylamino)ethoxy]-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
  参考文献：
  名称：

  Piperazinyl pyrimidine derivatives as potent γ-secretase modulators

  摘要：

  The development of a novel series of piperazinyl pyrimidines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a screening hit provided a series of potent gamma-secretase modulators with > 180-fold in vitro selectivity over inhibition of Notch cleavage. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.101
• 作为产物：
  描述：

  2-((2,6-dichloropyrimidin-4-yl)oxy)-N,N-dimethylethan-1-amine 、 5-(1,1-二甲基乙基)-2-甲基苯胺 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成 N-(5-(tert-butyl)-2-methylphenyl)-2-chloro-6-(2-(dimethylamino)ethoxy)pyrimidin-4-amine
  参考文献：
  名称：

  Piperazinyl pyrimidine derivatives as potent γ-secretase modulators

  摘要：

  The development of a novel series of piperazinyl pyrimidines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a screening hit provided a series of potent gamma-secretase modulators with > 180-fold in vitro selectivity over inhibition of Notch cleavage. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.101