2,4-Dichloro-6-methylpyrimidine-5-carboxamide

• 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: 2,4-Dichloro-6-methylpyrimidine-5-carboxamide
• 英文别名: 2,4-dichloro-6-methylpyrimidine-5-carboxamide
• 化学式: C₆H₅Cl₂N₃O
• 分子量: 206.03
• InChiKey: LKOAFUJTAVGISL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• ISOTOPOLOGUES OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE
  申请人：Signal Pharmaceuticals, LLC

  公开号：US20180022710A1

  公开（公告）日：2018-01-25

  Provided herein are isotopologues of Compound A, which are enriched with isotopes such as, for example, deuterium. Pharmaceutical compositions comprising the isotope-enriched compounds, and methods of using such compounds are also provided. Embodiments provided herein encompass isotopologues of Compound A and pharmaceutically acceptable salts, stereoisomers, tautomers, solid forms, polymorphs, hydrates, clathrates, and solvates thereof.