1,2,4-Trimethyl-pyrazolon-(5) | 3310-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1,2,4-Trimethyl-pyrazolon-(5)
• 英文别名: 1,2,4-trimethyl-1,2-dihydro-pyrazol-3-one；1,2,4-Trimethylpyrazol-3-one
• CAS: 3310-40-5
• 化学式: C₆H₁₀N₂O
• 分子量: 126.158
• InChiKey: ODUOQHAZEKFNNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 2-Substituted pyrimidines
  申请人：Tormo i Blasco Jordi

  公开号：US20070054929A1

  公开（公告）日：2007-03-08

  The present invention relates to pyrimidines of the formula I in which the index n and the substituents L, R 1 -R 3 are as defined in the description and R 4 corresponds to one of the formulae and to processes and intermediates for preparing these compounds, to compositions comprising them and to their use for controlling phytopathogenic harmful fungi.
• Substituted 5-Phenyl Pyrimidines I In Therapy
  申请人：Rheinheimer Joachim

  公开号：US20080146593A1

  公开（公告）日：2008-06-19

  The present invention relates to substituted 5-phenyl pyrimidines I, which carry a radical X in the 4-position of the pyrimidine ring, a radical Y in the 6-position of the pyrimidine ring, the radical X denoting a group of the formula NR 1 R 2 , OR 1a or SR 1a , in which R 1 , R 2 , independently of each other, denote hydrogen, C 1 -C 10 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 1 -C 10 -haloalkyl, C 3 -C 8 -cycloalkyl, C 3 -C 8 -halocycloalkyl, phenyl, or 5- or 6-membered heteroaryl or 5- or 6-membered heterocyclyl, containing 1, 2, 3 or 4 nitrogen atoms or 1, 2 or 3 nitrogen atoms and one sulfur or oxygen atom as ring members, which radicals may be unsubstituted or may carry 1, 2, 3 or 4 radicals R a1 ; or the radical NR 1 R 2 may also form a 5- or 6-membered optionally substituted heterocyclic ring, containing 1, 2, 3 or 4 nitrogen atoms or 1, 2 or 3 nitrogen atoms and one sulfur or oxygen atom as ring members, which are non-adjacent to the nitrogen of NR 1 R 2 , in which two adjacent C atoms or one N atom and one adjacent C atom can be linked by a C 1 -C 4 -alkylene chain and wherein the heterocyclic ring may be unsubstituted or may carry 1, 2, 3 or 4 radicals R a1 as defined in claim 1 , R 1a has one of the meanings given for R 1 except for hydrogen; the radical Y being selected from the group consisting of halogen, cyano, C 1 -C 4 -alkyl, C 2 -C 4 -alkenyl, C 2 -C 4 -alkynyl, C 3 -C 6 -cycloalkyl, C 1 -C 4 -alkoxy, C 3 -C 4 -alkenyloxy, C 3 -C 4 -alkynyloxy, C 1 -C 6 -alkylthio, di-(C 1 -C 6 -alkyl)amino or C 1 -C 6 -alkylamino, where the alkyl, alkenyl and alkynyl radicals of Y may be substituted by halogen, cyano, nitro, C 1 -C 2 -alkoxy or C 1 -C 4 -alkoxycarbonyl; and wherein the pyrimidine radical may also carry a radical different from hydrogen in the 2-position and wherein the phenyl ring in the 5-position of the pyrimidine ring may be unsubstituted or carry 1, 2, 3, 4 or 5 radicals L which are different from hydrogen, and the pharmaceutically acceptable salts substituted 5-phenyl pyrimidines for use in therapy, in particular in therapy or treatment of cancerous diseases.