2-Ethoxy-6-methyl-5-nitropyrimidin-4(3H)-one | 917596-58-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-Ethoxy-6-methyl-5-nitropyrimidin-4(3H)-one
• 英文别名: 2-ethoxy-4-methyl-5-nitro-1H-pyrimidin-6-one
• CAS: 917596-58-8
• 化学式: C₇H₉N₃O₄
• 分子量: 199.166
• InChiKey: IBKOQKWWWCGHFK-UHFFFAOYSA-N

物化性质

• 沸点：
  273.1±43.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Ethoxy-6-methyl-5-nitropyrimidin-4(3H)-one 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 生成 2-Ethoxy-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidine
  参考文献：
  名称：

  Discovery of a novel series of inhibitors of human cytomegalovirus primase

  摘要：

  Infection by human cytomegalovirus (hCMV) remains a potent threat to susceptible people throughout the world. We have discovered a series of imidazolyl-pyrimidine compounds, which were found to be irreversible inhibitors of the hCMV UL70 primase based on results from radiolabeling and SAR studies. Two promising analogs are described that rival ganciclovir and cidofovir in antiviral potency and possess improved cytotoxicity profiles. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.066
• 作为产物：
  描述：

  2,4-二氯-5-硝基-6-甲基嘧啶 在 sodium ethanolate 、 sodium acetate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 2-Ethoxy-6-methyl-5-nitropyrimidin-4(3H)-one
  参考文献：
  名称：

  Discovery of a novel series of inhibitors of human cytomegalovirus primase

  摘要：

  Infection by human cytomegalovirus (hCMV) remains a potent threat to susceptible people throughout the world. We have discovered a series of imidazolyl-pyrimidine compounds, which were found to be irreversible inhibitors of the hCMV UL70 primase based on results from radiolabeling and SAR studies. Two promising analogs are described that rival ganciclovir and cidofovir in antiviral potency and possess improved cytotoxicity profiles. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.066