N4-(4-(2-(diethylamino)ethoxy)phenyl)pyrimidine-4,6-diamine | 1067903-47-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N4-(4-(2-(diethylamino)ethoxy)phenyl)pyrimidine-4,6-diamine
• CAS: 1067903-47-2
• 化学式: C₁₆H₂₃N₅O
• 分子量: 301.392
• InChiKey: FMJMCVJEYHOVOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  76.3
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N4-(4-(2-(diethylamino)ethoxy)phenyl)pyrimidine-4,6-diamine 、 2,6-二氯苯基异氰酸酯 在 N,N-二甲基丙烯基脲 作用下， 以37%的产率得到1-(2,6-dichloro-phenyl)-3-{6-[4-(2-diethylamino-ethoxy)-phenylamino]-pyrimidin-4-yl}-urea
  参考文献：
  名称：

  Entry into a new class of protein kinase inhibitors by pseudo ring design

  摘要：

  A pyrimidin-4-yl-urea motif forming a pseudo ring by intramolecular hydrogen bonding has been designed to mimic the pyrido[2,3-d]pyrimidin-7-one core structure of a well-established class of protein kinase inhibitors. Potent inhibition of a number of protein kinases was obtained with the first prototype compound synthesized to probe the design concept. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.041
• 作为产物：
  描述：

  4-氨基-6-氯嘧啶 、 4-(2-(二乙基氨基)乙氧基)-苯胺 在 盐酸 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 生成 N4-(4-(2-(diethylamino)ethoxy)phenyl)pyrimidine-4,6-diamine
  参考文献：
  名称：

  Entry into a new class of protein kinase inhibitors by pseudo ring design

  摘要：

  A pyrimidin-4-yl-urea motif forming a pseudo ring by intramolecular hydrogen bonding has been designed to mimic the pyrido[2,3-d]pyrimidin-7-one core structure of a well-established class of protein kinase inhibitors. Potent inhibition of a number of protein kinases was obtained with the first prototype compound synthesized to probe the design concept. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.041