5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine | 1395499-83-8

• 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: 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine
• 英文别名: bmpa；5-Bromo-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
• CAS: 1395499-83-8
• 化学式: C₁₀H₁₆BrN₅
• 分子量: 286.175
• InChiKey: BYOTYEBPMXEYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3-吡嗪二羧酸 、 copper(II) choride dihydrate 、 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine 、 水 以 乙醇 、 水 为溶剂， 以55%的产率得到[5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine(+H)]2[Cu(1,4-pyrazine-2,3-dicarboxylate)2]*2H2O
  参考文献：
  名称：

  Two new CuII 1D-coordination polymers containing 1,4-pyrazine-2,3-dicarboxylic acid, 2-aminopyridine, and 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine: X-ray crystal structure, spectroscopic and magnetic studies

  摘要：

  In this work, we report the design and synthesis of two 1D-coordination polymers under ambient condition namely {[H2-apy](2)[Cu(pyzdc)(2)]}(n) (1) and {[Hbmpa](2)[Cu(pyzdc)(2)]center dot 2H(2)O}(n) (2), which have been pre-pared by the reaction between CuCl2 center dot 2H(2)O, 1,4-pyrazine-2,3-dicarboxylic acid (H2pyzdc) and 2-aminopyridine (2-apy) or 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl) pyrimidine-4-amine (bmpa). The compounds have been structurally determined by single crystal X-ray diffraction analyses, elemental analyses and IR spectra. These coordination polymers consist of [Cu(pyzdc)(2)](2) chains and discrete positively charged 2-apy or bmpa fragments. In 1 and 2, the variable temperature magnetic measurements show very weak antiferromagnetic interactions between the Cu-II centers. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.045
• 作为产物：
  描述：

  N-甲基哌嗪 、 5-溴-2-氯-6-甲基嘧啶-4-胺 以 乙醇 为溶剂， 生成 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine
  参考文献：
  名称：

  Two new CuII 1D-coordination polymers containing 1,4-pyrazine-2,3-dicarboxylic acid, 2-aminopyridine, and 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine: X-ray crystal structure, spectroscopic and magnetic studies

  摘要：

  In this work, we report the design and synthesis of two 1D-coordination polymers under ambient condition namely {[H2-apy](2)[Cu(pyzdc)(2)]}(n) (1) and {[Hbmpa](2)[Cu(pyzdc)(2)]center dot 2H(2)O}(n) (2), which have been pre-pared by the reaction between CuCl2 center dot 2H(2)O, 1,4-pyrazine-2,3-dicarboxylic acid (H2pyzdc) and 2-aminopyridine (2-apy) or 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl) pyrimidine-4-amine (bmpa). The compounds have been structurally determined by single crystal X-ray diffraction analyses, elemental analyses and IR spectra. These coordination polymers consist of [Cu(pyzdc)(2)](2) chains and discrete positively charged 2-apy or bmpa fragments. In 1 and 2, the variable temperature magnetic measurements show very weak antiferromagnetic interactions between the Cu-II centers. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.045

文献信息

• Two new CuII 1D-coordination polymers containing 1,4-pyrazine-2,3-dicarboxylic acid, 2-aminopyridine, and 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine: X-ray crystal structure, spectroscopic and magnetic studies
  作者：M. Mirzaei、H. Eshtiagh-Hosseini、A. Hassanpoor、T. Szymańska-Buzar、J.T. Mague、M. Korabik、A. Kochel

  DOI：10.1016/j.ica.2012.04.045

  日期：2012.8

  In this work, we report the design and synthesis of two 1D-coordination polymers under ambient condition namely [H2-apy](2)[Cu(pyzdc)(2)]}(n) (1) and [Hbmpa](2)[Cu(pyzdc)(2)]center dot 2H(2)O}(n) (2), which have been pre-pared by the reaction between CuCl2 center dot 2H(2)O, 1,4-pyrazine-2,3-dicarboxylic acid (H2pyzdc) and 2-aminopyridine (2-apy) or 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl) pyrimidine-4-amine (bmpa). The compounds have been structurally determined by single crystal X-ray diffraction analyses, elemental analyses and IR spectra. These coordination polymers consist of [Cu(pyzdc)(2)](2) chains and discrete positively charged 2-apy or bmpa fragments. In 1 and 2, the variable temperature magnetic measurements show very weak antiferromagnetic interactions between the Cu-II centers. (C) 2012 Elsevier B.V. All rights reserved.