N-benzyl-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide | 1296885-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-benzyl-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide
• 英文别名: N-benzyl-2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-ethylacetamide
• CAS: 1296885-98-7
• 化学式: C₂₇H₃₃ClN₆O
• 分子量: 493.052
• InChiKey: MXNMLKLGPPABBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(4-chlorophenethyl)-4-(piperazin-1-yl)pyrimidin-2-amine 在 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-benzyl-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide
  参考文献：
  名称：

  Development of 2,4-diaminopyrimidine derivatives as novel SNSR4 antagonists

  摘要：

  2,4-Diaminopyrimidines derivatives were developed as a novel class of SNSR4 antagonists. Structure activity relationship of the diamino pyrimidine core was explored and a tool compound suitable for target validation was identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.138

文献信息

• Development of 2,4-diaminopyrimidine derivatives as novel SNSR4 antagonists
  作者：Malken Bayrakdarian、Joanne Butterworth、Yun-Jin Hu、Vijayaratnam Santhakumar、Mirosław J. Tomaszewski

  DOI：10.1016/j.bmcl.2011.01.138

  日期：2011.4

  2,4-Diaminopyrimidines derivatives were developed as a novel class of SNSR4 antagonists. Structure activity relationship of the diamino pyrimidine core was explored and a tool compound suitable for target validation was identified. (C) 2011 Elsevier Ltd. All rights reserved.