Methyl 5,6-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrimidine-4-carboxylate | 1208553-41-6

• 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: Methyl 5,6-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrimidine-4-carboxylate
• CAS: 1208553-41-6
• 化学式: C₁₆H₂₅N₃O₆
• 分子量: 355.391
• InChiKey: MVTLNPNWJCPOLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate 、 二碳酸二叔丁酯 在 三乙胺 作用下， 反应 20.0h， 生成 Methyl 5,6-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrimidine-4-carboxylate
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：

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