6-(cyclohexylamino)-3-methyluracil | 6702-71-2

• 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-(cyclohexylamino)-3-methyluracil
• 英文别名: 1-Methyl-4-cyclohexylamino-uracil；6-cyclohexylamino-3-methyl-1H-pyrimidine-2,4-dione；6-(cyclohexylamino)-3-methylpyrimidine-2,4(1H,3H)-dione；6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
• CAS: 6702-71-2
• 化学式: C₁₁H₁₇N₃O₂
• 分子量: 223.275
• InChiKey: CINNSQRGUJUIPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(cyclohexylamino)-3-methyluracil 生成 3.3-Pentamethylen-7-methyl-6.8-dioxo-5.6.7.8-tetrahydro-3H-pyrimido<5.4-c>-1.2.5-oxadiazin
  参考文献：
  名称：

  Goldner,H. et al., Justus Liebigs Annalen der Chemie, 1966, vol. 692, p. 134 - 150

  摘要：

  DOI：
• 作为产物：
  描述：

  1-甲基巴比妥酸 在 水 、 三氯氧磷 作用下， 反应 3.0h， 生成 6-(cyclohexylamino)-3-methyluracil
  参考文献：
  名称：

  Synthesis and reactivities of a novel flavoenzyme model, 5-deazaflavin with C2-symmetry

  摘要：

  The tide model compound represents a redox property of the active site of flavoenzymes and an environmental effect of the apoproteins. Its stereostructure was elucidated by H-1-NMR spectra and energy minimum calculations. The stereoselectivity of this model was observed during the reaction with Me2PNPH, as NAD(P)H model. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00269-3

文献信息

• Nagamatsu, Tomohisa; Hashiguchi, Yuko; Yoneda, Fumio, Journal of the Chemical Society. Perkin transactions I, 1984, # 3, p. 561 - 565
  作者：Nagamatsu, Tomohisa、Hashiguchi, Yuko、Yoneda, Fumio

  DOI：——

  日期：——
• NAGAMATSU, TOMOHISA;HASHIGUCHI, YUKO;YONEDA, FUMIO, J. CHEM. SOC. PERKIN TRANS., 1984, N 3, 561-565
  作者：NAGAMATSU, TOMOHISA、HASHIGUCHI, YUKO、YONEDA, FUMIO

  DOI：——

  日期：——
• Goldner,H. et al., Justus Liebigs Annalen der Chemie, 1966, vol. 692, p. 134 - 150
  作者：Goldner,H. et al.

  DOI：——

  日期：——
• Synthesis and reactivities of a novel flavoenzyme model, 5-deazaflavin with C2-symmetry
  作者：Reiko Yanada、Yoshiyuki Yoneda、Mikako Yazaki、Norio Mimura、Tooru Taga、Fumio Yoneda、Kazuo Yanada

  DOI：10.1016/s0957-4166(97)00269-3

  日期：1997.7

  The tide model compound represents a redox property of the active site of flavoenzymes and an environmental effect of the apoproteins. Its stereostructure was elucidated by H-1-NMR spectra and energy minimum calculations. The stereoselectivity of this model was observed during the reaction with Me2PNPH, as NAD(P)H model. (C) 1997 Elsevier Science Ltd.