2-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propoxy]-1H-pyrimidin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propoxy]-1H-pyrimidin-6-one
• 化学式: C₂₃H₃₆N₆O₂
• 分子量: 428.6
• InChiKey: LJVLYJGJBJJSPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  83
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] PYRIMIDINOXYALKYLPIPERAZINES AND THEIR THERAPEUTIC USE<br/>[FR] PYRIMIDINOXYALKYLPIPERAZINES ET LEUR USAGE THERAPEUTIQUE
  申请人：ABBOTT LAB

  公开号：WO2003002543A1

  公开（公告）日：2003-01-09

  Pyrimidinoxyalkylpiperazines of the formula (I) in which n represents an integer from 2 to 6, R1 represents H, C1-C6-alkyl or phenyl ( C1-C6)-alkyl in which the phenyl radical can be substituted by one or more substituents selected from C1-C6-alkyl and C1-C6-alkoxy, R2 represents H, C1-C4-alkyl, OH, C1-C6-alkoxy, NH2 or C1-C6-halogenoalkyl, R3 and R4, independently of each other, represent H, C1-C6-alkyl, C1-C6-hydroxyalkyl, C1-C6-halogenoalkyl, pyrrolyl or phenyl, which latter can be substituted by one or more substituents selected from C1-C6-alkyl, C1-C6-hydroxyalkyl, C1-C6-alkoxy, OH, halogen or C1-C6-halogenoalkyl, phenyl, cyano or nitro. The compounds can be used for treating diseases which respond to modulation of the dopamine D3 receptor and are characterized by a high degree of bioavailability.