5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4(3H)-one | 613667-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4(3H)-one
• 英文别名: 5,6-Diphenyl-2-(trifluoromethyl)pyrimidin-4(3H)-one；4,5-diphenyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
• CAS: 613667-21-3
• 化学式: C₁₇H₁₁F₃N₂O
• 分子量: 316.282
• InChiKey: DONMPVCMYDCTAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4(3H)-one 在 三氯氧磷 作用下， 反应 5.0h， 以76.6%的产率得到4-chloro-5,6-diphenyl-2-(trifluoromethyl)pyrimidine
  参考文献：
  名称：

  [EN] NOVEL BIO-ACTIVE MOLECULES
  [FR] NOUVELLES MOLECULES BIOACTIVES

  摘要：

  本发明涉及一般式(I)的新颖衍生物，它们的衍生物，类似物，互变异构体，立体异构体，多晶形态，水合物，溶剂合物，其药学上可接受的盐以及含有它们的药学上可接受的组合物。本发明更具体提供了一般式(I)的新颖嘧啶衍生物。

  公开号：

  WO2004009560A1

文献信息

• Novel bio-active molecules
  申请人：Agarwal Kumar Shiv

  公开号：US20050107413A1

  公开（公告）日：2005-05-19

  The present invention relates to novel derivatives of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel pyrimidine derivatives of the general formula (I).

  本发明涉及一般式（I）的新衍生物，其衍生物，类似物，互变异构体，立体异构体，多晶形，水合物，溶剂化物，其药学上可接受的盐和包含它们的药学上可接受的组合物。本发明更具体地提供了一般式（I）的新嘧啶衍生物。
• Bio-active pyrimidine molecules
  申请人：Orchid Research Laboratories, Ltd.

  公开号：US07317014B2

  公开（公告）日：2008-01-08

  The present invention relates to novel derivatives of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel pyrimidine derivatives of the general formula (I)

  本发明涉及一般式（I）的新衍生物，它们的衍生物，类似物，互变异构体，立体异构体，多晶形态，水合物，溶剂化物，以及包含它们的药学上可接受的盐和药学上可接受的组合物。本发明更特别地提供了一般式（I）的新嘧啶衍生物。
• NOVEL BIO-ACTIVE MOLECULES
  申请人：Orchid Research Laboratories Limited

  公开号：EP1542978B1

  公开（公告）日：2011-04-13
• US7317014B2
  申请人：——

  公开号：US7317014B2

  公开（公告）日：2008-01-08
• [EN] NOVEL DIARYL PYRIMIDINONE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE DIARYLE PYRIMIDINEDIONE
  申请人：ORCHID CHEMICALS & PHARM LTD

  公开号：WO2003084935A2

  公开（公告）日：2003-10-16

  The present invention relates to novel diaryl pyrimidinedione derivatives of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel diaryl pyrimidinedione derivatives of the general formula (I).