1-Methyl-5-propan-2-ylpyrimidin-1-ium

• 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: 1-Methyl-5-propan-2-ylpyrimidin-1-ium
• 英文别名: 1-methyl-5-propan-2-ylpyrimidin-1-ium
• 化学式: C8H13N2+
• 分子量: 137.2
• InChiKey: OYHXAZBGKNEQON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  16.8
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20170101409A1

  公开（公告）日：2017-04-13

  The present invention is concerned with 2-oxo-2,3-dihydro-indoles of general formula wherein Ar 1 is phenyl or a five or six membered heteroaryl group, containing one, two or three heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N + —(O − ); R 1 is lower alkyl, halogen, cyano or cycloalkyl; Ar 2 is a five or six membered heteroaryl group, containing one, two, three or four heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N + —(O − ), or is benzo[b]thiophenyl; R 2 is hydrogen, lower alkyl, halogen, cyano, lower alkyl substituted by hydroxyl, lower alkyl substituted by halogen, lower alkyl substituted by amino, lower alkyl substituted by alkoxy, lower alkyl substituted by amide, or is cycloalkyl; X is CH or N; n is 1 or 2; m is 1 or 2; as well as with a pharmaceutically acceptable salt thereof, with a racemic mixture, or with its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof The compounds may be used in the treatment of CNS diseases related to positive (psychosis) and negative symptoms of schizophrenia, substance abuse, alcohol and drug addiction, obsessive-compulsive disorders, cognitive impairment, bipolar disorders, mood disorders, major depression, treatment resistant depression, anxiety disorders, Alzheimer's disease, autism, Parkinson's disease, chronic pain, borderline personality disorder, neurodegenerative disease, sleep disturbances, chronic fatigue syndrome, stiffness, inflammatory disease, asthma, Huntington's disease, ADHD, amyotrophic lateral sclerosis, epilepsy, effects in arthritis, autoimmune disease, viral and fungal infections, cardiovascular diseases, ophthalmology and inflammatory retinal diseases and balance problems.