4-amino-5-bromo-6-chloro-2-(N-methyl-piperazino)pyrimidine | 102396-34-9

• 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: 4-amino-5-bromo-6-chloro-2-(N-methyl-piperazino)pyrimidine
• 英文别名: 5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
• CAS: 102396-34-9
• 化学式: C₉H₁₃BrClN₅
• 分子量: 306.593
• InChiKey: JXTHAGZLFHEXKF-UHFFFAOYSA-N

物化性质

• 沸点：
  457.9±55.0 °C(Predicted)
• 密度：
  1.616±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,6-dichloro-2-(N-methylpiperazino)-5-(methylthio)pyrimidine 在 sodium hypobromide 、 氨 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 4.0h， 生成 4-amino-5-bromo-6-chloro-2-(N-methyl-piperazino)pyrimidine
  参考文献：
  名称：

  4-Amino-6-chloro-2-piperazinopyrimidines with selective affinity for .alpha.2-adrenoceptors

  摘要：

  A series of 4-amino-6-chloro-2-piperazinopyrimidines were synthesized and evaluated for their ability to interact with alpha 1- and alpha 2-adrenoceptors in vitro in binding assays using [3H]WB-4101, [3H]clonidine, and [3H]idazoxan as radioligands. Some compounds were also tested as inhibitors of [3H]spiroperidol binding. Several members of this series showed high and selective affinity for alpha 2-adrenoceptors. The nature of the 4-amino substituent seems to be the most critical factor in determining the potency at these receptors.

  DOI：

  10.1021/jm00158a013

文献信息

• 4-Amino-6-chloro-2-piperazinopyrimidines with selective affinity for .alpha.2-adrenoceptors
  作者：Claude Gueremy、Francois Audiau、Christian Renault、Jesus Benavides、Andre Uzan、Gerard Le Fur

  DOI：10.1021/jm00158a013

  日期：1986.8

  A series of 4-amino-6-chloro-2-piperazinopyrimidines were synthesized and evaluated for their ability to interact with alpha 1- and alpha 2-adrenoceptors in vitro in binding assays using [3H]WB-4101, [3H]clonidine, and [3H]idazoxan as radioligands. Some compounds were also tested as inhibitors of [3H]spiroperidol binding. Several members of this series showed high and selective affinity for alpha 2-adrenoceptors. The nature of the 4-amino substituent seems to be the most critical factor in determining the potency at these receptors.