4-methoxy-6-methyl-N-(1-(2-hydroxy-5-methylphenyl) ethylidene)-1,3,5-triazin-2-amine | 1465740-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-methoxy-6-methyl-N-(1-(2-hydroxy-5-methylphenyl) ethylidene)-1,3,5-triazin-2-amine
• 英文别名: 2-[N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methylcarbonimidoyl]-4-methylphenol
• CAS: 1465740-21-9
• 化学式: C₁₄H₁₆N₄O₂
• 分子量: 272.307
• InChiKey: SUSPPEYZNOGTBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.49
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-羟基-5-甲基苯乙酮 、 2-氨基-4-甲氧基-6-甲基-1,3,5-三嗪 以 乙醇 为溶剂， 以63%的产率得到4-methoxy-6-methyl-N-(1-(2-hydroxy-5-methylphenyl) ethylidene)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Synthesis, characterization and in vitro biological evaluation of some novel 1,3,5-triazine–Schiff base conjugates as potential antimycobacterial agents

  摘要：

  A series of some novel 1,3,5-triazine-Schiff base conjugates (1-32) have been synthesized and evaluated for their in vitro antimycobacterial activity against Mycobacterium tuberculosis H37Rv using Alamar Blue assay and the activity expressed as the minimum inhibitory concentration (MIC) in mu g/mL. Compounds 4 (4-Methoxy-6-methyl-N-(3,4,5-trimethoxybenzylidene)-1,3,5-triazin-2-amine), 11 (4-Methoxy-6-methyl-N-(2-hydroxy-3-bromo-5-chloro-benzylidene)-1,3,5-triazin-2-amine) and 24 (4-Methoxy-6-methyl-N-(1-(2,5-dihydroxyphenyl)ethylidene)-1,3,5-triazin-2-amine) exhibited a significant activity at 3.125, 6.25 and 6.25 mu g/mL, respectively, when compared with the antitubercular drugs such as ethambutol (3.125 mu g/mL), pyrazinamide (6.25 mu g/mL) and streptomycin (6.25 mu g/mL) and it could be a potential starting point to develop new lead compounds in the fight against Mycobacterium tuberculosis H37Rv. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.063