6-Amino-1,3-dimethyl-5-(pyridin-3-yldiazenyl)pyrimidine-2,4-dione | 907165-59-7

• 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: 6-Amino-1,3-dimethyl-5-(pyridin-3-yldiazenyl)pyrimidine-2,4-dione
• CAS: 907165-59-7
• 化学式: C₁₁H₁₂N₆O₂
• 分子量: 260.255
• InChiKey: ZDNJWZWOLLAVMI-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 6-Amino-1,3-dimethyl-5-(pyridin-3-yldiazenyl)pyrimidine-2,4-dione 、 水 在 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以62%的产率得到bis-(1,3-dimethyl-5-(3'-pyridylazo)-6-aminouracil)copper(II) water
  参考文献：
  名称：

  1,3-二甲基-5-(4'/3'-吡啶偶氮)-6-氨基尿嘧啶的铜(II)配合物：结构、氧化还原、磁性和蛋白质结合特性

  摘要：

  两种基于 1,3-二甲基-5-(4'/3'-吡啶偶氮)-6-氨基尿嘧啶 (HL1: 4'-吡啶偶氮, 配合物 1: cis -Cu II L1 2 .MeOH 的新型单体铜 (II) 配合物; HL2：3'-吡啶偶氮，配合物2：顺式-铜II L1 2 ·H 2 O）合成，表征和研究了氧化还原，磁和蛋白结合特性。配合物1在单斜空间群 C2/c，Z  = 4 而配合物2在三斜空间群 P-1，Z  = 2。从 EPR 光谱推断，配合物在固体和溶液状态下具有相似的结构共1 个具有解析良好的超精细特征，g || > g ┴ > g e (g || =2.20 和 g ┴ =2.05)。Cu(III)/Cu(II) 对的氧化响应的 E ½值为 1.030 V (ΔE = 133 mV) 1和 0.982 V (ΔE = 128 mV) 2，表明 Cu(II) 具有高氧化还原稳定性复杂环境中的离子。1 的多晶样品的直流

  DOI：

  10.1016/j.molstruc.2021.132164
• 作为产物：
  描述：

  3-氨基吡啶 、 1,3-二甲基-6-氨基脲嘧啶 在 硫酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 溶剂黄146 、 丙酸 、 水 为溶剂， 反应 3.42h， 以85%的产率得到6-Amino-1,3-dimethyl-5-(pyridin-3-yldiazenyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis, spectral features and biological activity of some novel hetarylazo dyes derived from 6-amino-1,3-dimethyluracil

  摘要：

  A series of hetarylazoaminouracil dyes were prepared by coupling of 6-amino-1,3-dimethyluracil with eight diazotized heterocyclic amines in nitrosyl sulphuric acid. The prepared azo dyes were characterized by UV-Vis, FT-IR, C-13 NMR, H-1 NMR spectroscopic techniques and elemental analysis. The solvatochromism of dyes was evaluated with respect to wavelength of maximum absorption (lambda(max)) in seven solvents with different polarities: acetic acid, methanol, water, chloroform, acetonitrile, dimethyl sulfoxide and dimethyl formamide. The effects of acid, base and concentration of the dye on the visible absorption spectra were also reported. In addition, the antimicrobial activity of the synthesized dyes was evaluated on Escherichia coli, Bacillus subtilis, Micrococcus leuteus and Pseudomonas aeruginosa. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.02.017

文献信息

• Synthesis, spectral features and biological activity of some novel hetarylazo dyes derived from 6-amino-1,3-dimethyluracil
  作者：Hessamoddin Yousefi、Asieh Yahyazadeh、Mohammad Reza Yazdanbakhsh、Mehdi Rassa、Enayat O’llah Moradi-e-Rufchahi

  DOI：10.1016/j.molstruc.2012.02.017

  日期：2012.5

  A series of hetarylazoaminouracil dyes were prepared by coupling of 6-amino-1,3-dimethyluracil with eight diazotized heterocyclic amines in nitrosyl sulphuric acid. The prepared azo dyes were characterized by UV-Vis, FT-IR, C-13 NMR, H-1 NMR spectroscopic techniques and elemental analysis. The solvatochromism of dyes was evaluated with respect to wavelength of maximum absorption (lambda(max)) in seven solvents with different polarities: acetic acid, methanol, water, chloroform, acetonitrile, dimethyl sulfoxide and dimethyl formamide. The effects of acid, base and concentration of the dye on the visible absorption spectra were also reported. In addition, the antimicrobial activity of the synthesized dyes was evaluated on Escherichia coli, Bacillus subtilis, Micrococcus leuteus and Pseudomonas aeruginosa. (C) 2012 Elsevier B.V. All rights reserved.
• Copper(II) complexes of 1,3-dimethyl-5-(4′/3′-pyridylazo)-6-aminouracil: Structures, redox, magnetic and protein binding properties
  作者：Nishithendu Bikash Nandi、Atanu Purkayastha、Julia Kłak、Rakesh Ganguly、Susanta Ghanta、Tarun Kumar Misra

  DOI：10.1016/j.molstruc.2021.132164

  日期：2022.3

  for redox, magnetic and protein-binding properties. The complex 1 is in monoclinic space group C2/c, Z = 4 whereas the complex 2 is in triclinic space group P-1, Z = 2. The complexes hold similar structure in solid and solution state as could be infered from the EPR spectra of 1 having well-resolved hyperfine features, g|| > g┴ > ge (g|| =2.20 and g┴ =2.05). The E½ values for oxidative response of Cu(III)/Cu(II)

  两种基于 1,3-二甲基-5-(4'/3'-吡啶偶氮)-6-氨基尿嘧啶 (HL1: 4'-吡啶偶氮, 配合物 1: cis -Cu II L1 2 .MeOH 的新型单体铜 (II) 配合物; HL2：3'-吡啶偶氮，配合物2：顺式-铜II L1 2 ·H 2 O）合成，表征和研究了氧化还原，磁和蛋白结合特性。配合物1在单斜空间群 C2/c，Z  = 4 而配合物2在三斜空间群 P-1，Z  = 2。从 EPR 光谱推断，配合物在固体和溶液状态下具有相似的结构共1 个具有解析良好的超精细特征，g || > g ┴ > g e (g || =2.20 和 g ┴ =2.05)。Cu(III)/Cu(II) 对的氧化响应的 E ½值为 1.030 V (ΔE = 133 mV) 1和 0.982 V (ΔE = 128 mV) 2，表明 Cu(II) 具有高氧化还原稳定性复杂环境中的离子。1 的多晶样品的直流