5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione | 10184-41-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione
• 英文别名: N-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide；N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamid；6-amino-5-acetamido-1,3-dimethyl-uracil；5-acetylamino-4-amino-1,3-dimethylpyrimidine-2,6-dione；5-Acetylamino-4-amino-1,3-dimethyluracil；1,3-Dimethyl-5-acetamido-6-amino-uracil；5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione；N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)acetamide
• CAS: 10184-41-5
• 化学式: C₈H₁₂N₄O₃
• 分子量: 212.208
• InChiKey: IZBPBGGZDAPRCZ-UHFFFAOYSA-N

物化性质

• 熔点：
  280 °C(Solv: ethanol (64-17-5))
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione 在 盐酸 、 甲醇 作用下， 生成 5,6-二氨基-1,3-二甲基脲嘧啶
  参考文献：
  名称：

  Bredereck; Hennig; Pfleiderer, Chemische Berichte, 1953, vol. 86, p. 325

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6-二氨基-1,3-二甲基脲嘧啶 、 溶剂黄146 生成 5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Golowtschinskaja, Zhurnal Obshchei Khimii, 1954, vol. 24, p. 136,142,144;engl.Ausg.S.135,139,141

  摘要：

  DOI：

文献信息

• Substituted theophylline compounds
  申请人：Fisons Limited

  公开号：US04299832A1

  公开（公告）日：1981-11-10

  The substituted theophyllines of the formula: ##STR1## (wherein R.sup.1, R.sup.2 and R.sup.3, which may be the same or different, each represent alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or phenylalkyl of 7 to 10 carbon atoms, each of which may be unsubstituted or substituted by one or more hydroxy groups, alkoxy or alkylthio groups of 1 to 4 carbon atoms, halogen atoms, cyano groups, nitro groups, carboxy groups, alkoxycarbonyl groups of 2 to 5 carbon atoms, amino groups, alkylamino groups of 1 to 4 carbon atoms or dialkylamino groups of 2 to 8 carbon atoms, or when the group is phenyl or phenylalkyl, by one or more alkyl groups of 1 to 4 carbon atoms; or R.sup.2 and R.sup.3 together represent a hydrocarbon chain of 3 to 6 carbon atoms optionally interrupted by a heteroatom; and n represents an integer of from 1 to 6) and the acid additional salts thereof, are novel compounds which are useful in the treatment of cardiac disorders. Processes for their preparation and pharmaceutical compositions containing them are also described.

  式子中替代的茶碱： ##STR1## (其中R.sup.1，R.sup.2和R.sup.3，可以相同或不同，分别代表1至6个碳原子的烷基，3至7个碳原子的环烷基，7至10个碳原子的苯基或苯基烷基，每一个可以是未取代或取代一个或多个羟基，1至4个碳原子的烷氧基或烷硫基，卤素原子，氰基，硝基，羧基，2至5个碳原子的烷氧羰基，氨基，1至4个碳原子的烷基氨基或2至8个碳原子的二烷基氨基，或当该基团为苯基或苯基烷基时，由1至4个碳原子的烷基取代；或R.sup.2和R.sup.3一起代表一个由3至6个碳原子的碳氢链组成，可选地由杂原子中断；n代表1至6的整数)及其酸附加盐是新化合物，可用于治疗心脏疾病。还描述了其制备过程和含有它们的药物组成物。
• N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them
  申请人：FISONS plc

  公开号：EP0011399A1

  公开（公告）日：1980-05-28

  The substituted theophyllines of the formula: (wherein R', R2 and R3, which may be the same or different, each represent alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or phenylalkyl of 7 to 10 carbon atoms, each of which may be unsubstituted or substituted by one or more hydroxy groups, alkoxy or alkylthio groups of 1 to 4 carbon atoms, halogen atoms, cyano groups, nitro groups, carboxy groups, alkoxycarbonyl groups of 2 to 5 carbon atoms, amino groups, alkylamino groups of 1 to 4 carbon atoms or dialkylamino groups of 2 to 8 carbon atoms, or when the group is pehnyl or phenylalkyl, by one or more alkyl groups of 1 to 4 carbon atoms; or R2 and R'together represent a hydrocarbon chain of 3 to 6 carbon atoms optionally interrupted by a heteroatom; and n represents an integer from 1 to6) and the acid additional salts thereof, are novel compounds which are useful in the treatment of cardiac disorders. Processes for their preparation and pharmaceutical compositions containing them are also described.

  式中的取代茶碱类： (其中 R'、R2 和 R3（可以相同或不同）各自代表 1 至 6 个碳原子的烷基、3 至 7 个碳原子的环烷基、7 至 10 个碳原子的苯基或苯基烷基，它们各自可以未被取代或被一个或多个羟基、1 至 4 个碳原子的烷氧基或烷硫基取代、卤素原子、氰基、硝基、羧基、2 至 5 个碳原子的烷氧羰基、氨基、1 至 4 个碳原子的烷基氨基或 2 至 8 个碳原子的二烷基氨基，或当基团为正烷基或苯基烷基时，被一个或多个 1 至 4 个碳原子的烷基取代； 或 R2 和 R'共同代表 3 至 6 个碳原子的烃链，可选择被一个杂原子打断；且 n 代表 1 至 6 的整数）及其酸盐是新型化合物，可用于治疗心脏疾病。此外，还描述了制备它们的工艺和含有它们的药物组合物。
• Some Alkyl Homologs of Theophylline
  作者：John H. Speer、Albert L Raymond

  DOI：10.1021/ja01097a032

  日期：1953.1
• WAWZONEL S., J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 2, 310-313
  作者：WAWZONEL S.

  DOI：——

  日期：——
• METABOLIC PHENOTYPING IN THERAPY WITH IMMUNOSUPPRESSANTS
  申请人：McGILL UNIVERSITY

  公开号：EP1370865A2

  公开（公告）日：2003-12-17