2-amino-6-methoxy-7,9-dimethyl-7H-purinium chloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-amino-6-methoxy-7,9-dimethyl-7H-purinium chloride
• 英文别名: heteromine C；6-Methoxy-7,9-dimethylpurin-9-ium-2-amine;chloride
• 化学式: C₈H₁₂N₅O*Cl
• 分子量: 229.669
• InChiKey: UUXQFBYNAZATHJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.61
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  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

• Jakobsen, Erik; Gundersen, Lise-Lotte, Heterocycles, 2000, vol. 53, # 4, p. 935 - 940
  作者：Jakobsen, Erik、Gundersen, Lise-Lotte

  DOI：——

  日期：——
• Three New Purinium Derivatives, Heteromines A, B, and C from Heterostemma brownii
  作者：Yueh-Hsiung Kuo、Yun-Lian Lin、Hae-Pyng Lee、Jun-Chih Ou

  DOI：10.3987/com-95-7325

  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.