6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
• 英文别名: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
• 化学式: C₁₄H₉F₃N₂O₃
• 分子量: 310.23
• InChiKey: RDFHLSJUEQSDRR-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.5
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Pyrimidones with antiviral properties
  申请人：Axxima Pharmaceuticals Aktiengesellschaft

  公开号：EP1389461A1

  公开（公告）日：2004-02-18

  The present invention relates to vinylpyrimidine-2-one derivatives of the general formula (I): Furthermore the present invention relates to vinylpyrimidine-2-one derivatives and of the general formula (Ia): wherein R1 to R6 in formula (I) and in formula (Ia) represent independently of each other a variety of different substituents comprising alkyl, aryl, aralkyl, alkylaryl, heteroaryl groups and monofunctional moieties. The compounds are used as antivirals, especially against herpes and HCMV (Human Cytomegalovirus).

  本发明涉及一般式(I)的乙烯基嘧啶-2-酮衍生物，以及一般式(Ia)的乙烯基嘧啶-2-酮衍生物，其中在式(I)和式(Ia)中，R1至R6独立地表示各种不同的取代基，包括烷基，芳基，芳基烷基，烷基芳基，杂环芳基和单官能团。该化合物可用作抗病毒药物，特别是用于抗疱疹病毒和人类巨细胞病毒(HCMV)。
• [EN] PYRIMIDONES AS ANTIVIRAL AGENTS<br/>[FR] PYRIMIDONES EN TANT QU'AGENTS ANTIVIRAUX
  申请人：AXXIMA PHARMACEUTICALS AG

  公开号：WO2004016271A1

  公开（公告）日：2004-02-26

  The present invention relates to vinylpyrimidine-2-one derivatives of general formula (I). Furthermore the present invention relates to vinylpyrimidine-2-one derivatives and of general formula (Ia), wherein R1 to R6 in formula (I) and in formula (Ia) represent independently of each other a variety of different substituents comprising alkyl, aryl, aralkyl, alkylaryl, heteroaryl groups and monofunctional moieties.