5-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione | 273745-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
• CAS: 273745-81-6
• 化学式: C₁₂H₁₁N₃O₄
• 分子量: 261.237
• InChiKey: URFGJKVTQPTPDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氨基尿嘧啶 、 香草醛 以 乙醇 、 水 为溶剂， 反应 2.0h， 以60%的产率得到5-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  5-Arylideneaminouracils: I. Synthesis and relations between physicochemical parameters and biological activity

  摘要：

  A number of 5-arylideneaminouracils were synthesized by condensation of 5-aminouracil with substituted aromatic aldehydes. Correlation analysis according to Hantzsch revealed strong effects of the lipophilicity parameter and hydration energy of these compounds on their biological activity.

  DOI：

  10.1134/s107036320905020x

文献信息

• 5-Arylideneaminouracils: I. Synthesis and relations between physicochemical parameters and biological activity
  作者：V. I. Krutikov、A. V. Erkin

  DOI：10.1134/s107036320905020x

  日期：2009.5

  A number of 5-arylideneaminouracils were synthesized by condensation of 5-aminouracil with substituted aromatic aldehydes. Correlation analysis according to Hantzsch revealed strong effects of the lipophilicity parameter and hydration energy of these compounds on their biological activity.