156647-96-0 (4-甲基-6-羟基嘧啶,4-HYDROXY-6-METHYLPYRIMIDINE)

CAS号:
156647-96-0
中文名称:
4-甲基-6-羟基嘧啶
英文名称:
4-HYDROXY-6-METHYLPYRIMIDINE
分子式:
C5H6N2O
分子量:
110.11394071579

4-甲基-6-羟基嘧啶(156647-96-0)名称与标识符

名称

中文别名:
4-甲基-6-羟基嘧啶;4-羟基-6-甲基嘧啶;6-甲基-4-嘧啶醇;
英文别名:
4-HYDROXY-6-METHYLPYRIMIDINE;AKOS BC-0740;6-METHYL-4(3H)-PYRIMIDINONE;4-Pyrimidinol, 6-methyl- (9CI);4-Pyrimidinol,6-methyl-;6-METHYL-PYRIMIDIN-4-OL;2-Ethyl-6-methyl-3-pyridinol succinate;Mexidol Emicidine;Mexidol Emicidine;SY005589;9H2Q3DT832;J-515770;F3284-7947;4-hydroxy-6-methyl pyrimidine;AC-22854;H11629;6-methyl-3,4-dihydropyrimidin-4-one;F3329-0379;A15518;6-methylpyrimidin-4-one;156647-95-9;4-methyl-1H-pyrimidin-6-one;BCP26799;AKOS000282918;3524-87-6;CS-W001866;EN300-53138;DTXSID2063056;6-methylpyrimidin-4-ol;SCHEMBL503863;FT-0648295;AC-907/30003034;6-methylpyrimidin-4(3H)-one;MFCD00053575;H1675;AKOS005170721;4(3H)-Pyrimidinone, 6-methyl-;6-Methyl-4-hydroxypyrimidine;4-Methyl-6-Hydroxy Pyrimidine;6-Methyl-3H-pyrimidin-4-one;4-PYRIMIDINOL, 6-METHYL-;6-Methyl-4-pyrimidinol;MFCD00086579;SCHEMBL11154028;EINECS 222-543-4;AKOS002363247;BS-3737;J-515505;Z314661966;NSC193523;NS00029811;NSC 18893;156647-96-0;NSC18893;FT-0601653;6-Methyl-4-oxopyrimidine;6-Methyl-1H-pyrimidin-4-one;NSC-193523;4(1H)-Pyrimidinone, 6-methyl-;NSC-18893;NSC 193523;6-methyl-1,4-dihydropyrimidin-4-one;6-Methyl-4(1H)-pyrimidinone;6-Methyl-4(5H)-pyrimidinone;AM20090555;4-Hydroxy-6-methylpyrimidine, 97%;6-methylpyrimidin-4(1H)-one;4(3H)-Pyrimidinone, 6-methyl- (9CI);DB-283425;STL227943;14663-58-2;ALBB-014962;pyrimidine, 4-hydroxy-6-methyl-;DB-064136;STK398611;STL135957;4-Methyl-6-hydroxypyrimidine;AB-323/25048161;

标识符

MDL:
MFCD00053575
InChIKey:
LHRIUKSRPHFASO-UHFFFAOYSA-N
Inchi:
1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
SMILES:
O=C1C=C(C)N=CN1

4-甲基-6-羟基嘧啶(156647-96-0)物化性质

实验特性

  • LogP : 0.49060
  • PSA : 46.01000
  • 折射率 : 1.576
  • 沸点 : 242.1 ºC
  • 闪点 : 100.2 ºC
  • 密度 : 1.215

计算特性

  • 精确分子量 : 110.04800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 110.048
  • 重原子数量 : 8
  • 复杂度 : 169
  • 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) : -0.3
  • 拓扑分子极性表面积 : 41.5A^2