1-(2,4-dichlorophenyl)-3-(4-(4,6-dimethylpyrimidin-2-yloxy)phenyl)urea | 1263499-62-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dichlorophenyl)-3-(4-(4,6-dimethylpyrimidin-2-yloxy)phenyl)urea
• 英文别名: 1-(2,4-Dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]urea
• CAS: 1263499-62-2
• 化学式: C₁₉H₁₆Cl₂N₄O₂
• 分子量: 403.268
• InChiKey: FSNMKPRJACGZNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(4,6-dimethylpyrimidin-2-yloxy)benzenamine 、 2,4-二氯苯基异氰酸酯 以 二氯甲烷 为溶剂， 反应 1.0h， 以83%的产率得到1-(2,4-dichlorophenyl)-3-(4-(4,6-dimethylpyrimidin-2-yloxy)phenyl)urea
  参考文献：
  名称：

  Synthesis and antitumor activity of ureas containing pyrimidinyl group

  摘要：

  A novel series of ureas containing pyrimidinyl group were designed and synthesized. Some of the prepared compounds showed potential cytotoxicity against several human cancer cell lines. From the structure-activity relationships we may conclude that introduction of a sulfide bridge between phenyl and pyrimidinyl rings would be critical for their biological activities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.026