Heteromine H | 116137-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Heteromine H
• 英文别名: N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
• CAS: 116137-80-5
• 化学式: C₈H₁₃N₅O₂
• 分子量: 211.224
• InChiKey: WZRMOHGHRQGERS-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222 °C
• 沸点：
  508.3±60.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  93.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-amino-6-methoxy-7,9-dimethyl-7H-purinium chloride 在 ammonium hydroxide 作用下， 反应 3.0h， 以25 mg的产率得到Heteromine H
  参考文献：
  名称：

  Two New Puriniums and Three New Pyrimidines from Heterostemma brownii

  摘要：

  Two new puriniums, heteromines D (4) and E (5), and three new pyrimidines, heteromines F (6), G (7), and H (8), were isolated from the aerial parts of Heterostemma brownii Hay. Their structures were determined as 7,9-dimethyl-2-(N,N-dimethylamino)guaninium chloride, 7,9-dimethyl-2-(N-methylamino)guaninium chloride, 6-methoxy-4-(N-methylamino)-2-(N,N-dimethylamino)-5-(N-methylformamido)pyrimidine, 6-methoxy-2,4-bis(N-methylamino)-5-(N-methylformamido)pyrimidine, and 2-amino-6-methoxy-4-(N-methylamino)-5-(N-methylformamido)pyrimidine, respectively.

  DOI：

  10.1021/np970159y

文献信息

• Chemical reactivity of alkylguanines. I. Methylation of O6-methylguanine derivatives
  作者：Kohfuku Kohda、Kunihisa Baba、Yutaka Kawazoe

  DOI：10.1016/s0040-4039(01)91353-x

  日期：1987.1
• KOHDA, KOHFUKU;BABA, KUNIHISA;KAWAZOE, YUTAKA, TETRAHEDRON LETT., 28,(1987) N 50, 6285-6288
  作者：KOHDA, KOHFUKU、BABA, KUNIHISA、KAWAZOE, YUTAKA

  DOI：——

  日期：——
• Two New Puriniums and Three New Pyrimidines from <i>Heterostemma brownii</i>
  作者：Yun-Lian Lin、Ray-Ling Huang、Chung-Ming Chang、Yueh-Hsiung Kuo

  DOI：10.1021/np970159y

  日期：1997.10.1

  Two new puriniums, heteromines D (4) and E (5), and three new pyrimidines, heteromines F (6), G (7), and H (8), were isolated from the aerial parts of Heterostemma brownii Hay. Their structures were determined as 7,9-dimethyl-2-(N,N-dimethylamino)guaninium chloride, 7,9-dimethyl-2-(N-methylamino)guaninium chloride, 6-methoxy-4-(N-methylamino)-2-(N,N-dimethylamino)-5-(N-methylformamido)pyrimidine, 6-methoxy-2,4-bis(N-methylamino)-5-(N-methylformamido)pyrimidine, and 2-amino-6-methoxy-4-(N-methylamino)-5-(N-methylformamido)pyrimidine, respectively.