N-(4,6-diaminopyrimidin-5-yl)formamide | 86977-29-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(4,6-diaminopyrimidin-5-yl)formamide
• CAS: 86977-29-9
• 化学式: C₅H₇N₅O
• 分子量: 154.132
• InChiKey: MVYUVUOSXNYQLL-VQEHIDDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4,6-diaminopyrimidin-5-yl)formamide 在 ammonium hydroxide 、 乙酸酐 作用下， 生成 8-¹³C-adenine
  参考文献：
  名称：

  Synthesis and Utilization of¹³C(8)-Enriched Purines

  摘要：

  A new and more efficient method is presented for the synthesis of 13C(8)-enriched adenine. In addition, we present for the first time the synthesis of 13C(8)-enriched 2-aminopurine and purine. All three analogues have been converted to the corresponding ribonucleosides. The adenine analogue has been further converted to the 2'-deoxy-nucleoside and incorporated into a synthetic oligonucleotide. Data is presented demonstrating the utility of 13C-enrichment in heteronuclear isotope-edited NMR spectra.

  DOI：

  10.1080/07328319908045591
• 作为产物：
  描述：

  甲酸-13C 、 4,5,6-三氨基嘧啶硫酸盐 在 盐酸 作用下， 反应 0.5h， 生成 N-(4,6-diaminopyrimidin-5-yl)formamide
  参考文献：
  名称：

  Synthesis and Utilization of¹³C(8)-Enriched Purines

  摘要：

  A new and more efficient method is presented for the synthesis of 13C(8)-enriched adenine. In addition, we present for the first time the synthesis of 13C(8)-enriched 2-aminopurine and purine. All three analogues have been converted to the corresponding ribonucleosides. The adenine analogue has been further converted to the 2'-deoxy-nucleoside and incorporated into a synthetic oligonucleotide. Data is presented demonstrating the utility of 13C-enrichment in heteronuclear isotope-edited NMR spectra.

  DOI：

  10.1080/07328319908045591

文献信息

• An efficient synthesis of [8-13C]adenine
  作者：William H. Gmeiner、C. Dale Poulter

  DOI：10.1021/jo00241a041

  日期：1988.3
• Synthesis and Utilization of¹³C(8)-Enriched Purines
  作者：Christopher J. Lafrancois、June Fujimoto、Lawrence C. Sowers

  DOI：10.1080/07328319908045591

  日期：1999.1

  A new and more efficient method is presented for the synthesis of 13C(8)-enriched adenine. In addition, we present for the first time the synthesis of 13C(8)-enriched 2-aminopurine and purine. All three analogues have been converted to the corresponding ribonucleosides. The adenine analogue has been further converted to the 2'-deoxy-nucleoside and incorporated into a synthetic oligonucleotide. Data is presented demonstrating the utility of 13C-enrichment in heteronuclear isotope-edited NMR spectra.