2-benzylamino-5-bromo-6-methyl-4-phenylaminopyrimidine | 1235528-71-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-benzylamino-5-bromo-6-methyl-4-phenylaminopyrimidine
• 英文别名: 2-N-benzyl-5-bromo-6-methyl-4-N-phenylpyrimidine-2,4-diamine
• CAS: 1235528-71-8
• 化学式: C₁₈H₁₇BrN₄
• 分子量: 369.264
• InChiKey: RYTOMRMQNRFRLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 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：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-benzylamino-5-bromo-6-methyl-4-phenylaminopyrimidine 在 盐酸 作用下， 以 水 为溶剂， 以0.34 g的产率得到2-benzylamine-5-bromo-6-methyl-4-phenylaminopyrimidine hydrochloride
  参考文献：
  名称：

  Effect of halogen atom localization on the level of antimycobacterial activity of 2-amino-4-arylamino-6-methylpyrimidines

  摘要：

  Several hydrochlorides of 2-alkyl(cycloalkyl, aralkyl)-5-bromo-6-methyl-4-phenylaminopyrimidines have been synthesized as isosteric analogs of the corresponding 2-alkyl(cycloalkyl, aralkyl)-4-(3-bromophenyl)amino-6-methylpyrimidine hydrochlorides. Moving the bromine atom from the benzene ring into the heterocycle is accompanied by a significant decrease in the level of antimycobacterial activity.

  DOI：

  10.1134/s1070363210040237
• 作为产物：
  描述：

  苯胺 在 N-溴代丁二酰亚胺(NBS) 、 sodium hydroxide 作用下， 以 四氯化碳 、 水 为溶剂， 反应 1.0h， 生成 2-benzylamino-5-bromo-6-methyl-4-phenylaminopyrimidine
  参考文献：
  名称：

  Effect of halogen atom localization on the level of antimycobacterial activity of 2-amino-4-arylamino-6-methylpyrimidines

  摘要：

  Several hydrochlorides of 2-alkyl(cycloalkyl, aralkyl)-5-bromo-6-methyl-4-phenylaminopyrimidines have been synthesized as isosteric analogs of the corresponding 2-alkyl(cycloalkyl, aralkyl)-4-(3-bromophenyl)amino-6-methylpyrimidine hydrochlorides. Moving the bromine atom from the benzene ring into the heterocycle is accompanied by a significant decrease in the level of antimycobacterial activity.

  DOI：

  10.1134/s1070363210040237

文献信息

• Effect of halogen atom localization on the level of antimycobacterial activity of 2-amino-4-arylamino-6-methylpyrimidines
  作者：A. V. Erkin、V. I. Krutikov

  DOI：10.1134/s1070363210040237

  日期：2010.4

  Several hydrochlorides of 2-alkyl(cycloalkyl, aralkyl)-5-bromo-6-methyl-4-phenylaminopyrimidines have been synthesized as isosteric analogs of the corresponding 2-alkyl(cycloalkyl, aralkyl)-4-(3-bromophenyl)amino-6-methylpyrimidine hydrochlorides. Moving the bromine atom from the benzene ring into the heterocycle is accompanied by a significant decrease in the level of antimycobacterial activity.