N-[4-(2-furyl)-6-(4-methoxybenzylamino)-2-trifluoromethylpyrimidin-5-ylamino]formamide | 1173900-26-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[4-(2-furyl)-6-(4-methoxybenzylamino)-2-trifluoromethylpyrimidin-5-ylamino]formamide
• 英文别名: N-[4-(2-furyl)-6-[(4-methoxyphenyl)methylamino]-2-(trifluoromethyl)pyrimidin-5-yl]formamide；N-[4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]-2-(trifluoromethyl)pyrimidin-5-yl]formamide
• CAS: 1173900-26-9
• 化学式: C₁₈H₁₅F₃N₄O₃
• 分子量: 392.337
• InChiKey: CIPACNYUQHLDBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  89.3
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-(2-Furyl)-9-(4-methoxyphenylmethyl)-2-trifluoromethyl-9H-purine 在 四丁基氢氧化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以59%的产率得到N-[4-(2-furyl)-6-(4-methoxybenzylamino)-2-trifluoromethylpyrimidin-5-ylamino]formamide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of 5-formylaminopyrimidines; analogs of antibacterial purines

  摘要：

  Pyrimidine analogs of antimycobacterial purines have been synthesized and their biological activities evaluated. Several 5-formamidopyrimidines exhibited profound activity against Mycobacterium tuberculosis in vitro (IC90 <= 1.5 mu g/mL), and they were essentially inactive against other bacteria. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.082

文献信息

• Synthesis and antimycobacterial activity of 5-formylaminopyrimidines; analogs of antibacterial purines
  作者：Morten Brændvang、Colin Charnock、Lise-Lotte Gundersen

  DOI：10.1016/j.bmcl.2009.04.082

  日期：2009.6

  Pyrimidine analogs of antimycobacterial purines have been synthesized and their biological activities evaluated. Several 5-formamidopyrimidines exhibited profound activity against Mycobacterium tuberculosis in vitro (IC90 <= 1.5 mu g/mL), and they were essentially inactive against other bacteria. (C) 2009 Elsevier Ltd. All rights reserved.