8-(3-aminopropyl)-3,4,6,7-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-9-one | 1262956-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 8-(3-aminopropyl)-3,4,6,7-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-9-one
• CAS: 1262956-44-4
• 化学式: C₁₀H₁₈N₄O
• 分子量: 210.279
• InChiKey: FWTLDWZWMVQTRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  61.93
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,4-bis(3-aminopropyl)-2,3-piperazinedione 以 water-d2 、 乙醇 为溶剂， 生成 8-(3-aminopropyl)-3,4,6,7-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-9-one
  参考文献：
  名称：

  Comparative structural coordination chemistry of two tricyclic bisamidines

  摘要：

  The tricyclic bisamidines L1 and L2 are designed to be preconstrained so as to present synperiplanar donor sites for metal coordination. Their very different bite angles of 35 degrees and 70 degrees result from the incorporation of two five-membered instead of six-membered rings in their respective backbones. Distinct coordination preferences in a variety of metal complexes have now been confirmed by X-ray structural studies. While L1 afforded monodentate, symmetrical and unsymmetrical chelating as well as bimetallic bridging modes in its complexes, L2 has been found exclusively in a bidentate chelating mode. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.015