(2-吡啶-4-基嘧啶-4-基)脲 | 61310-23-4

• 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: (2-吡啶-4-基嘧啶-4-基)脲
• 英文名称: (2-pyridin-4-yl-pyrimidin-4-yl)-urea
• 英文别名: N-[2-(4-pyridinyl)-4-pyrimidinyl]urea；N-[2-(Pyridin-4-yl)pyrimidin-4-yl]urea；(2-pyridin-4-ylpyrimidin-4-yl)urea
• CAS: 61310-23-4
• 化学式: C₁₀H₉N₅O
• 分子量: 215.214
• InChiKey: CNKRRFAEIGKEGM-UHFFFAOYSA-N

物化性质

• 熔点：
  >340 °C(Solv: N,N-dimethylformamide (68-12-2))
• 沸点：
  329.3±34.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-吡啶基)-4-氨基嘧啶 、 N,N'-羰基二咪唑 在 氨 、 sodium hydride 作用下， 生成 (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：——
• US4008235A
  申请人：——

  公开号：US4008235A

  公开（公告）日：1977-02-15
• US4053475A
  申请人：——

  公开号：US4053475A

  公开（公告）日：1977-10-11
• 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.