N-[2-(4-chlorophenyl)ethyl]-4-methoxypyrimidin-2-amine | 1296885-61-4

• 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: N-[2-(4-chlorophenyl)ethyl]-4-methoxypyrimidin-2-amine
• CAS: 1296885-61-4
• 化学式: C₁₃H₁₄ClN₃O
• mdl: MFCD24862664
• 分子量: 263.727
• InChiKey: NGTPRRBJPZQNHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(4-chlorophenyl)ethyl]-4-methoxypyrimidin-2-amine 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 生成
  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
• 作为产物：
  描述：

  2-氯-4-甲氧基嘧啶 、 4-氯苯乙胺 在 三乙胺 作用下， 以 正丁醇 为溶剂， 生成 N-[2-(4-chlorophenyl)ethyl]-4-methoxypyrimidin-2-amine
  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.