5-(aminomethyl)-3-pyrimidin-2-yl-1,3-oxazolidin-2-one | 824933-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 5-(aminomethyl)-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
• 英文别名: 5-(Aminomethyl)-3-(pyrimidin-2-yl)-1,3-oxazolidin-2-one
• CAS: 824933-22-4
• 化学式: C₈H₁₀N₄O₂
• 分子量: 194.193
• InChiKey: ARUYSHQNYJCPII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5-(aminomethyl)-3-pyrimidin-2-yl-1,3-oxazolidin-2-one 在 吡啶 作用下， 反应 1.0h， 以35%的产率得到N-(2-Oxo-3-pyrimidin-2-yl-oxazolidin-5-ylmethyl)-acetamide
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid

  摘要：

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.

  DOI：

  10.1016/j.farmac.2004.05.002
• 作为产物：
  描述：

  5-(azidomethyl)-3-pyrimidin-2-yl-1,3-oxazolidin-2-one 在 水 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以45%的产率得到5-(aminomethyl)-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid

  摘要：

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.

  DOI：

  10.1016/j.farmac.2004.05.002

文献信息

• Synthesis and antibacterial evaluation of oxazolidin-2-ones structurally related to linezolid
  作者：Alessandra Ammazzalorso、Rosa Amoroso、Giancarlo Bettoni、Marialuigia Fantacuzzi、Barbara De Filippis、Letizia Giampietro、Cristina Maccallini、Domenico Paludi、Maria L. Tricca

  DOI：10.1016/j.farmac.2004.05.002

  日期：2004.9

  Compounds structurally related to the known antimicrobial drug linezolid were selected in order to evaluate the influence of electron-withdrawing properties and altered geometric features as a result of the N-substituent modification. After a preliminary study of molecular modeling, cinnamoyl-, pyridin- and pyrimidinoxazolidin-2-ones were synthesized. None of the new compounds showed antibacterial activity.