2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-pyridin-2-ylmethyl)-6-methyl-4-pyrimidone

• 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: 2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-pyridin-2-ylmethyl)-6-methyl-4-pyrimidone
• 英文别名: 2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-2-pyridylmethyl)-6-methyl-4-pyrimidone；2-[2-(5-Dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-2-pyridylmethyl)-6-methyl-4-pyrimidone；2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[[5-[(dimethylamino)methyl]pyridin-2-yl]methyl]-4-methyl-1H-pyrimidin-6-one
• 化学式: C₂₄H₃₄N₆O₂S
• 分子量: 470.639
• InChiKey: CPIDFZZFHZIUSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-nitroamino-5-(5-dimethylaminomethyl-pyridin-2-ylmethyl)-6-methyl-4-pyrimidone 、 2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺 以gives 2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-2-pyridylmethyl)-6-methyl-4-pyrimidone的产率得到2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethylaminomethyl-pyridin-2-ylmethyl)-6-methyl-4-pyrimidone
  参考文献：
  名称：

  Pyrimidones having histamine H.sub.2 -antagonist activity

  摘要：

  这项发明的化合物是具有组胺H.sub.2-拮抗活性的5-[二烷基氨基烷基呋喃(或噻吩、苯或吡啶)]-4-嘧啶酮。这项发明的一个具体化合物是2-[2-(5-二甲基氨基甲基-2-呋喃甲硫基)乙基氨基]-5-(5-二甲基氨基甲基-2-呋喃甲基)-4-嘧啶酮。

  公开号：

  US04388317A1

文献信息

• US4388317A
  申请人：——

  公开号：US4388317A

  公开（公告）日：1983-06-14
• Pyrimidones having histamine H.sub.2 -antagonist activity
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04388317A1

  公开（公告）日：1983-06-14

  The compounds of this invention are 5-[dialkylaminoalkylfuranyl (or thienyl, phenyl or pyridyl)]-4-pyrimidones having histamine H.sub.2 -antagonist activity. A specific compound of this invention is 2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethyla minomethyl-2-furanylmethyl)-4-pyrimidone.

  这项发明的化合物是具有组织胺H.sub.2-拮抗活性的5-[二烷氨基烷基呋喃基（或噻吩基、苯基或吡啶基）]-4-嘧啶酮。这项发明的一个具体化合物是2-[2-(5-二甲基氨甲基-2-呋喃基甲硫基)乙基氨基]-5-(5-二甲基氨甲基-2-呋喃基甲基)-4-嘧啶酮。