4-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-(4-fluorophenyl)pyrimidin-2-amine | 1557968-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-(4-fluorophenyl)pyrimidin-2-amine
• CAS: 1557968-74-7
• 化学式: C₂₀H₁₇FN₆
• 分子量: 360.394
• InChiKey: RNNCFGQEVRAKDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  82.51
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  盐酸胍 、 (E)-1-(1-benzyl-5-methyltriazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以79%的产率得到4-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-(4-fluorophenyl)pyrimidin-2-amine
  参考文献：
  名称：

  An eco-friendly water mediated synthesis of 1,2,3-triazolyl-2-aminopyrimidine hybrids as highly potent anti-bacterial agents

  摘要：

  An elegant and efficient synthesis of novel 1,2,3-triazole fused 2-aminopyrimidine hybrids has been accomplished for the first time in the green solvent viz. water. The hybrid molecules exhibit significant anti-bacterial activity when screened against three human pathogens viz. Staphylococcus aureus, Pseudomonas aeruginosa and Klebsiella pneumoniae. In comparison to the commercially marketed drug tetracycline, some of them are equally potent and a few are more potent. (C) 2013 Alagusundaram Ponnuswamy and Vellasamy Shanmugaiah. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.12.017