3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | 572879-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: 2-methyl-3-aminopyrido[1,2-a]pyrimidine-4-one；3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one
• CAS: 572879-99-3
• 化学式: C₉H₉N₃O
• 分子量: 175.19
• InChiKey: WBHKXRIOKZBAAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  314.0±45.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 以 乙醇 为溶剂， 生成 copper(II)(2-methyl-3-aminopyrido[1,2-a]pyrimidine-4-one)Cl2(H2O)2
  参考文献：
  名称：

  Complexes of d and f Metals with 2-Methyl-3-hydroxy(amino)pyrido[1,2-a]pyrimidine-4-one. Crystal Structure of 2-Methyl-3-hydroxypyrido[1,2-a]pyrimidine-4-one

  摘要：

  Six complexes of scandium(M), lanthanum(III), praseodymium(III), and copper(II) chlorides with 2-methyl-3-hydroxypyrido[1,2-a]pyrimidine-4-one (HL1) and 2-methyl-3-aminopyrido[1,2-a]pyrimidine-4-one (L-2), as well as hydrochloride and hydronitrate L-2, were isolated. The crystal and molecular structures of HL1 were determined. HL1 in CCl4 solution was shown (IR data) to occur as two forms, namely, neutral and zwitterionic forms. The structures for the complexes isolated were proposed.

  DOI：

  10.1023/b:ruco.0000008402.21557.58

文献信息

• Kuz'mina; Palkina; Polyakova, Russian Journal of Inorganic Chemistry, 2003, vol. 48, # 2, p. 205 - 210
  作者：Kuz'mina、Palkina、Polyakova、Golubev、Medvedev、Koval'chukova、Strashnova、Mordovina、Nikitin、Zaitsev

  DOI：——

  日期：——
• Complexes of d and f Metals with 2-Methyl-3-hydroxy(amino)pyrido[1,2-a]pyrimidine-4-one. Crystal Structure of 2-Methyl-3-hydroxypyrido[1,2-a]pyrimidine-4-one
  作者：N. I. Mordovina、O. V. Kovalchukova、B. E. Zaitsev、S. B. Strashnova、M. I. Leon Palomino、V. K. Bel'skii、A. I. Stash、S. V. Nikitin、M. A. Ryabov

  DOI：10.1023/b:ruco.0000008402.21557.58

  日期：2003.12

  Six complexes of scandium(M), lanthanum(III), praseodymium(III), and copper(II) chlorides with 2-methyl-3-hydroxypyrido[1,2-a]pyrimidine-4-one (HL1) and 2-methyl-3-aminopyrido[1,2-a]pyrimidine-4-one (L-2), as well as hydrochloride and hydronitrate L-2, were isolated. The crystal and molecular structures of HL1 were determined. HL1 in CCl4 solution was shown (IR data) to occur as two forms, namely, neutral and zwitterionic forms. The structures for the complexes isolated were proposed.