5-Methoxy-2-[(3,5,5-trimethyl-4-methylideneimidazolidin-1-yl)methyl]phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-Methoxy-2-[(3,5,5-trimethyl-4-methylideneimidazolidin-1-yl)methyl]phenol
• 英文别名: 5-methoxy-2-[(3,5,5-trimethyl-4-methylideneimidazolidin-1-yl)methyl]phenol
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.35
• InChiKey: YITPTHUWVMSKCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  35.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase
  申请人：Mikamiyama Hidenori

  公开号：US20070149556A1

  公开（公告）日：2007-06-28

  Compounds of Formula (1), pharmaceuticals containing the same, especially anti-HIV agents having anti viral activity, especially inhibitory activity against HIV integrase, wherein X represents either one of the following groups: (wherein, C ring is nitrogen-containing aromatic heterocyclic ring in which at least one atom in atoms neighboring the atom bound to the pyrimidine ring is unsubstituted nitrogen atom; R 10 is hydrogen or lower alkyl; D ring is aryl or heteroaryl) Z 1 and Z 3 each is independently a single bond, O, S, S (═O) or SO 2 ; Z 2 is a single bond, lower alkylene or lower alkenylene; Ar is optionally substituted aryl or optionally substituted heteroaryl; R 1 is lower alkyl, substituted lower alkyl or the like; R 2 is a hydrogen atom or optionally substituted lower alkyl; or R 1 and R 2 may form, together with an adjacent atom, an optionally substituted heterocyclic ring, a pharmaceutically acceptable salt or a solvate thereof.
• Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase
  申请人：Mikamiyama Hidenori

  公开号：US20100204237A1

  公开（公告）日：2010-08-12

  Compounds of Formula (1), pharmaceuticals containing the same, especially anti-HIV agents having anti viral activity, especially inhibitory activity against HIV integrase, wherein X represents either one of the following groups: (wherein, C ring is nitrogen-containing aromatic heterocyclic ring in which at least one atom in atoms neighboring the atom bound to the pyrimidine ring is unsubstituted nitrogen atom; R 10 is hydrogen or lower alkyl; D ring is aryl or heteroaryl) Z 1 and Z 3 each is independently a single bond, O, S, S(═O) or SO 2 ; Z 2 is a single bond, lower alkylene or lower alkenylene; Ar is optionally substituted aryl or optionally substituted heteroaryl; R 1 is lower alkyl, substituted lower alkyl or the like; R 2 is a hydrogen atom or optionally substituted lower alkyl; or R 1 and R 2 may form, together with an adjacent atom, an optionally substituted heterocyclic ring, a pharmaceutically acceptable salt or a solvate thereof.
• US7745453B2
  申请人：——

  公开号：US7745453B2

  公开（公告）日：2010-06-29