4-chloro-6-methyl-5-nitro-N-((tetrahydro-2H-pyran-2-yl)methyl)pyrimidin-2-amine | 937365-66-7

• 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: 4-chloro-6-methyl-5-nitro-N-((tetrahydro-2H-pyran-2-yl)methyl)pyrimidin-2-amine
• CAS: 937365-66-7
• 化学式: C₁₁H₁₅ClN₄O₃
• 分子量: 286.718
• InChiKey: UROKVQHBICUUCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  90.18
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-chloro-6-methyl-5-nitro-N-((tetrahydro-2H-pyran-2-yl)methyl)pyrimidin-2-amine 、 2-甲基咪唑 以 乙腈 为溶剂， 反应 24.0h， 以95%的产率得到4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(tetrahydropyran-2-ylmethyl)pyrimidin-2-amine
  参考文献：
  名称：

  SAR studies on a novel series of human cytomegalovirus primase inhibitors

  摘要：

  A novel series of imidazolylpyrimidines were found to possess inhibitory activity against the human CMV UL70 primase. Extensive SAR studies on an HTS lead led to potent, orally bioavailable compounds with anti-CMV IC50 values of 150 nM in both viral yield and viral DNA replication assays and with a much reduced cytotoxicity compared to marketed treatments ganciclovir and cidofovir. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.109
• 作为产物：
  描述：

  2,4-二氯-5-硝基-6-甲基嘧啶 在 sodium acetate 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 生成 4-chloro-6-methyl-5-nitro-N-((tetrahydro-2H-pyran-2-yl)methyl)pyrimidin-2-amine
  参考文献：
  名称：

  SAR studies on a novel series of human cytomegalovirus primase inhibitors

  摘要：

  A novel series of imidazolylpyrimidines were found to possess inhibitory activity against the human CMV UL70 primase. Extensive SAR studies on an HTS lead led to potent, orally bioavailable compounds with anti-CMV IC50 values of 150 nM in both viral yield and viral DNA replication assays and with a much reduced cytotoxicity compared to marketed treatments ganciclovir and cidofovir. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.109