2-amino-4-benzylthio-5-bromo-6-methylpyrimidine | 99990-45-1

• 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-amino-4-benzylthio-5-bromo-6-methylpyrimidine
• 英文别名: 2-Amino-4-methyl-5-brom-6-benzylmercapto-pyrimidin；4-benzylsulfanyl-5-bromo-6-methyl-pyrimidin-2-ylamine；4-benzylsulfanyl-5-bromo-6-methylpyrimidin-2-amine
• CAS: 99990-45-1
• 化学式: C₁₂H₁₂BrN₃S
• 分子量: 310.217
• InChiKey: AKIKDKSQRGVRHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-4-benzylthio-5-bromo-6-methylpyrimidine 在 盐酸 作用下， 以 苯 为溶剂， 以57%的产率得到2-amino-4-benzylthio-5-bromo-6-methylpyrimidine hydrochloride
  参考文献：
  名称：

  Synthesis and biological activity of hydrochlorides of benzyl ethers of pyrimidin-4(3H)-thiones and related compounds

  摘要：

  Hydrochlorides of benzyl ether of 2-amino-6-methylpyrimidin-4(3H)-thione and its analogs were synthesized and biological activity of the synthesized compounds was studied.

  DOI：

  10.1134/s1070363215010144
• 作为产物：
  描述：

  2-amino-4-benzylthio-6-methylpyrimidine 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以24%的产率得到2-amino-4-benzylthio-5-bromo-6-methylpyrimidine
  参考文献：
  名称：

  Synthesis and biological activity of hydrochlorides of benzyl ethers of pyrimidin-4(3H)-thiones and related compounds

  摘要：

  Hydrochlorides of benzyl ether of 2-amino-6-methylpyrimidin-4(3H)-thione and its analogs were synthesized and biological activity of the synthesized compounds was studied.

  DOI：

  10.1134/s1070363215010144

文献信息

• Synthesis and biological activity of hydrochlorides of benzyl ethers of pyrimidin-4(3H)-thiones and related compounds
  作者：A. V. Erkin、V. V. Gurzhii、V. I. Krutikov

  DOI：10.1134/s1070363215010144

  日期：2015.1

  Hydrochlorides of benzyl ether of 2-amino-6-methylpyrimidin-4(3H)-thione and its analogs were synthesized and biological activity of the synthesized compounds was studied.