2-(4-Methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-amine | 1022921-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-Methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-amine
• CAS: 1022921-45-4
• 化学式: C₁₅H₂₆N₆
• 分子量: 290.412
• InChiKey: CUFHCAGXMZVKGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  61.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-cyanofuran-2-carbonyl chloride 、 2-(4-Methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-cyano-N-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]furan-2-carboxamide
  参考文献：
  名称：

  Discovery of novel FMS kinase inhibitors as anti-inflammatory agents

  摘要：

  The optimization of the arylamide lead 2 resulted in identification of a highly potent series of 2,4-disubstituted arylamides. Compound 8 (FMS kinase IC50 = 0.0008 mu M) served as a proof-of-concept candidate in a collagen-induced model of arthritis in mice. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.059
• 作为产物：
  描述：

  2-(4-methyl-piperazin-1-yl)-4-(4-methyl-piperidin-1-yl)-5-nitro-pyrimidine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 2-(4-Methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-amine
  参考文献：
  名称：

  Discovery of novel FMS kinase inhibitors as anti-inflammatory agents

  摘要：

  The optimization of the arylamide lead 2 resulted in identification of a highly potent series of 2,4-disubstituted arylamides. Compound 8 (FMS kinase IC50 = 0.0008 mu M) served as a proof-of-concept candidate in a collagen-induced model of arthritis in mice. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.059