18337-63-8 (6-羟基-5-甲基-4(1h)-嘧啶酮,5-Methylpyrimidine-4,6-diol)

CAS号:
18337-63-8
中文名称:
6-羟基-5-甲基-4(1h)-嘧啶酮
英文名称:
5-Methylpyrimidine-4,6-diol
分子式:
C5H6N2O2
分子量:
126.113340854645

6-羟基-5-甲基-4(1h)-嘧啶酮(18337-63-8)名称与标识符

名称

中文别名:
4,6-二羟基-5-甲基嘧啶;6-羟基-5-甲基-4(1h)-嘧啶酮;4,6-二羟基-5-甲基嘧啶 25G;
英文别名:
5-Methylpyrimidine-4,6-diol;4(3H)-Pyrimidinone,6-hydroxy-5-methyl-;5-METHYL-PYRIMIDINE-4,6-DIOL;6-Hydroxy-5-methyl-4(1H)-pyrimidinone;4(1H)-pyrimidinone, 6-hydroxy-5-methyl-;4,6-pyrimidinediol, 5-methyl-;6-Hydroxy-5-methylpyrimidin-4(1H)-one;6-Hydroxy-5-methylpyrimidin-4(3H)-one;4,6-Dihydroxy-5-methylpyrimidine;5-Methyl-4,6-dihydroxypyrimidine;4-hydroxy-5-methyl-1H-pyrimidin-6-one;4(1H)-Pyrimidinone, 6-hydroxy-5-methyl- (8CI,9CI);Pyrimidine-4,6-diol, 5-methyl-;SCHEMBL2232292;AMY4068;FT-0617245;6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one;A8737;4(1H)-pyrimidinone,6-hydroxy-5-methyl-;18337-63-8;AC-907/30003039;AC-2390;4,6-Dihydroxy-5-methylpyrimidine, 97%;5-Methyl-4,6-pyrimidinediol #;AKOS012923085;46-Dihydroxy-5-methylpyrimidine;4,6-dihydroxy-5-methyl-pyrimidine;J-513388;SB55586;FT-0649611;CS-0173180;Q-102311;A6982;5-Methyl-4,6-pyrimidinediol;AKOS005254601;MFCD04037280;DTXSID30979659;GS-6878;5-methyl-4,6-dihydroxy pyrimidine;63447-38-1;5-Methyl-4,6(1H,5H)-pyrimidinedione; 5-Methyl-4,6-pyrimidinediol;;DB-012533;pyrimidine, 4,6-dihydroxy-5-methyl-;6-HYDROXY-5-METHYL-1H-PYRIMIDIN-4-ONE;DB-065442;STL511940;BBL100154;4(3H)-Pyrimidinone, 6-hydroxy-5-methyl-;6-HYDROXY-5-METHYL-3H-PYRIMIDIN-4-ONE;

标识符

MDL:
MFCD04037280
InChIKey:
OREVOAMPEBWISR-UHFFFAOYSA-N
Inchi:
1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
SMILES:
OC1=C(C)C(NC=N1)=O

6-羟基-5-甲基-4(1h)-嘧啶酮(18337-63-8)物化性质

实验特性

  • LogP : 0.19620
  • PSA : 66.24
  • 折射率 : 1.619
  • 沸点 : 327.4°C at 760 mmHg
  • 熔点 : >330 ºC (water )
  • 闪点 : 151.8°C
  • 溶解度 : 易溶 (120 g/L) (25 ºC),
  • 密度 : 1.44±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 126.04298
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 126.042927438g/mol
  • 重原子数量 : 9
  • 复杂度 : 205
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.5
  • 拓扑分子极性表面积 : 61.7Ų

6-羟基-5-甲基-4(1h)-嘧啶酮(18337-63-8)安全信息

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