2-[(6-pyrrolidin-1-ylpyridin-3-yl)ethynyl]pyrimidine | 845894-58-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[(6-pyrrolidin-1-ylpyridin-3-yl)ethynyl]pyrimidine
• 英文别名: 2-[2-(6-Pyrrolidin-1-ylpyridin-3-yl)ethynyl]pyrimidine
• CAS: 845894-58-8
• 化学式: C₁₅H₁₄N₄
• 分子量: 250.303
• InChiKey: VMYWBYGFZJUXAE-UHFFFAOYSA-N

物化性质

• 沸点：
  484.7±55.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Pyridazine, pyrimidine and pyrazine ethyne compounds
  申请人：Cosford D. Nicholas

  公开号：US20050043307A1

  公开（公告）日：2005-02-24

  In accordance with the present invention, there is provided a novel class of heterocyclic compounds. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. The ring additionally includes three, four or five atoms independently selected from carbon, nitrogen, sulfur and oxygen atoms. The heterocyclic ring has at least one substituent located at a ring position adjacent to a ring nitrogen atom. This mandatory substituent of the ring includes a moiety (B), linked to the heterocyclic ring via a carbon-carbon double bond, a carbon-carbon triple bond or an azo group. The mandatory substituent is positioned adjacent to the ring nitrogen atom. Invention compounds are capable of a wide variety of uses. For example heterocyclic compounds can act to modulate physiological processes by functioning as agonists and antagonists of receptors in the nervous system. Invention compounds may also act as insecticides, and as fungicides. Pharmaceutical compositions containing invention compounds also have wide utility.

  根据本发明，提供了一类新型的杂环化合物。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。该环另外包括三、四或五个独立选择的碳、氮、硫和氧原子。杂环环至少有一个取代基位于邻近环氮原子的环位置。该环的强制性取代基包括一个通过碳-碳双键、碳-碳三键或偶氮基与杂环环连接的基团（B）。强制性取代基位于环氮原子的邻近位置。本发明的化合物能够广泛用于各种用途。例如，杂环化合物可以通过作为神经系统受体的激动剂和拮抗剂来调节生理过程。本发明的化合物也可以作为杀虫剂和杀菌剂。含有本发明化合物的药物组合物也具有广泛的用途。
• US7365074B2
  申请人：——

  公开号：US7365074B2

  公开（公告）日：2008-04-29
• US7462619B2
  申请人：——

  公开号：US7462619B2

  公开（公告）日：2008-12-09