1-叔丁基-3-(5-甲基-2-吡啶-4-基嘧啶-4-基)脲 | 61310-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1-叔丁基-3-(5-甲基-2-吡啶-4-基嘧啶-4-基)脲
• 英文名称: 1-tert-butyl-3-(5-methyl-2-pyridin-4-yl-pyrimidin-4-yl)-urea
• 英文别名: N-tert-Butyl-N'-[5-methyl-2-(pyridin-4-yl)pyrimidin-4-yl]urea；1-tert-butyl-3-(5-methyl-2-pyridin-4-ylpyrimidin-4-yl)urea
• CAS: 61310-20-1
• 化学式: C₁₅H₁₉N₅O
• 分子量: 285.349
• InChiKey: PKRLBCNBVABOEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲基-2-吡啶-4-基嘧啶-4-胺 、 叔丁基异氰酸酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以73%的产率得到1-叔丁基-3-(5-甲基-2-吡啶-4-基嘧啶-4-基)脲
  参考文献：
  名称：

  Novel orally active inhibitors of passive cutaneous anaphylaxis in rats: N-[2-(4-Pyridinyl)-4-pyrimidinyl] ureas and dialkyl [[[2-(4-pyridinyl)-4-pyrimidinyl]amino]methylene]malonates

  摘要：

  4-Chloro-2-(4-pyridinyl)pyrimidines were treated with alkylamines to afford the corresponding N-substituted amino derivatives. 4-Amino-2-(4-pyridinyl)pyrimidines and their N-substituted analogues were converted to amides, carbamates, aminomethylenemalonates, and ureas. Many of these compounds were found to have potential antiallergic activity as indicated by the rat passive cutaneous anaphylaxis screen. The most compounds were found in the last two series.

  DOI：

  10.1021/jm00349a014

文献信息

• LESHER, G. Y.;SINGH, B.;MIELENS, Z. E., J. MED. CHEM., 1982, 25, N 7, 837-842
  作者：LESHER, G. Y.、SINGH, B.、MIELENS, Z. E.

  DOI：——

  日期：——
• Novel orally active inhibitors of passive cutaneous anaphylaxis in rats: N-[2-(4-Pyridinyl)-4-pyrimidinyl] ureas and dialkyl [[[2-(4-pyridinyl)-4-pyrimidinyl]amino]methylene]malonates
  作者：George Y. Lesher、Baldev Singh、Zigurd Mielens

  DOI：10.1021/jm00349a014

  日期：1982.7

  4-Chloro-2-(4-pyridinyl)pyrimidines were treated with alkylamines to afford the corresponding N-substituted amino derivatives. 4-Amino-2-(4-pyridinyl)pyrimidines and their N-substituted analogues were converted to amides, carbamates, aminomethylenemalonates, and ureas. Many of these compounds were found to have potential antiallergic activity as indicated by the rat passive cutaneous anaphylaxis screen. The most compounds were found in the last two series.