1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione | 103393-57-3

• 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: 1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
• 英文别名: 1-Butyl-3,6-dimethyl-1H-pyrimidin-2,4-dion；1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione；1-butyl-3,6-dimethylpyrimidine-2,4-dione
• CAS: 103393-57-3
• 化学式: C₁₀H₁₆N₂O₂
• 分子量: 196.249
• InChiKey: NBAZDRQMIGFVDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione 在 硫酸 、 硝酸 作用下， 生成 5-amino-1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Senda; Suzui, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 476,478

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(N'-methyl-ureido)-crotonic acid ethyl ester 在 氢氧化钾 、 sodium hydroxide 作用下， 生成 1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Senda; Suzui, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 476,478

  摘要：

  DOI：

文献信息

• Pyrazolopyrimidine-2,4-dione sulfonamides
  申请人：American Home Products Corporation

  公开号：US06133273A1

  公开（公告）日：2000-10-17

  A compound of formula (I) ##STR1## wherein: X=N and Y=CH or X=CH and Y=N R.sub.1 and R.sub.2 are independently, straight chain alkyl of 2 to 12 carbon atoms, branched chain alkyl of 3 to 10 carbon atoms, cycloalkyl of 3 to 10 carbon atoms, aryl of 4 to 10 carbon atoms, 4 to 10 membered heteroaryl or a moiety of the formula (CH.sub.2).sub.m -A wherein m is 1 to 9 and A is cycloalkyl of 3 to 7 carbon atoms; and R.sub.3 is a straight chain alkyl of 1 to 12 carbon atoms, branched chain alkyl of 3 to 10 carbon atoms, aryl of 4 to 10 carbon atoms or 4 to 10 membered heteroaryl for use in the treatment of disorders associated with bone loss by increased transcription and elevation of plasma calcitonin levels.

  化合物的化学式为（I）##STR1## 其中：X=N且Y=CH或X=CH且Y=N，R.sub.1和R.sub.2独立地为直链烷基，碳数为2到12，支链烷基，碳数为3到10，环烷基，碳数为3到10，芳基，碳数为4到10，4到10成员杂环或式(CH.sub.2).sub.m -A的基团，其中m为1到9，A为碳数为3到7的环烷基; R.sub.3为直链烷基，碳数为1到12，支链烷基，碳数为3到10，芳基，碳数为4到10或4到10成员杂环，用于治疗与骨质流失相关的疾病，通过增加转录和升高血浆降钙素水平。
• Structural interaction fingerprint
  申请人：Deng Zhan

  公开号：US20070020642A1

  公开（公告）日：2007-01-25

  Disclosed is a method for representing and analyzing 3D target molecule-ligand intermolecular interactions. The method generates structural interaction fingerprints (SIFts) that convert three-dimensional structural interaction information into linear information strings that contains a plurality of information blocks; each of which in turn containing a plurality of information units. By assigning to each information unit a calculated value to represent the characteristic of a set of intermolecular interactions occurring at each selected position (i.e., a position on the target molecule at which intermolecular interaction occurs), a SIFt of the target molecule-ligand complex is constructed.
• US6133273A
  申请人：——

  公开号：US6133273A

  公开（公告）日：2000-10-17
• Senda; Suzui, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 476,478
  作者：Senda、Suzui

  DOI：——

  日期：——