2-benzylthio-4-(3-bromophenylamino)-6-methylpyrimidine hydrochloride | 1162754-39-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-benzylthio-4-(3-bromophenylamino)-6-methylpyrimidine hydrochloride
• 英文别名: 2-benzylsulfanyl-N-(3-bromophenyl)-6-methylpyrimidin-4-amine;hydrochloride
• CAS: 1162754-39-3
• 化学式: C₁₈H₁₆BrN₃S*ClH
• 分子量: 422.776
• InChiKey: OVPZHAWHZOAOCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间溴苯胺 、 2-(benzylthio)-4-chloro-6-methylpyrimidine 反应 1.0h， 以31%的产率得到2-benzylthio-4-(3-bromophenylamino)-6-methylpyrimidine hydrochloride
  参考文献：
  名称：

  Synthesis and antimicobacterial activity of 2-substituted 4-arylamino-6-methylpyrimidines

  摘要：

  2-Substituted 4-arylamino-6-methylpyrimidines were synthesized by stepwise modification of the structure of 6-methyl-2-thiouracyl through the intermediate 2-(ar)alkylthio-6-methyl-4-chloropyrimidines. Some of the compounds synthesized exhibit expressed antimycobacterial activity.

  DOI：

  10.1134/s1070363208100216

文献信息

• Synthesis and antimicobacterial activity of 2-substituted 4-arylamino-6-methylpyrimidines
  作者：A. V. Erkin、V. I. Krutikov、E. B. Smirnova

  DOI：10.1134/s1070363208100216

  日期：2008.10

  2-Substituted 4-arylamino-6-methylpyrimidines were synthesized by stepwise modification of the structure of 6-methyl-2-thiouracyl through the intermediate 2-(ar)alkylthio-6-methyl-4-chloropyrimidines. Some of the compounds synthesized exhibit expressed antimycobacterial activity.