6H-嘌呤-6-酮,1,9-二氢-1-甲基- | 1125-39-9
中文名称:
6H-嘌呤-6-酮,1,9-二氢-1-甲基-
英文名称:
6H-Purin-6-one,1,9-dihydro-1-methyl-
CAS No.:
1125-39-9
分子式:
C6 H6 N4 O
分子量:
150.13804
名称和标识符
InChIKey
KIQMCGMHGVXDFW-UHFFFAOYSA-N
Inchi
InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)
SMILES
CN1C(=O)C2=C(NC=N2)N=C1
别名信息
- 英文别名 -
6H-Purin-6-one,1,9-dihydro-1-methyl-
1-methyl-7H-purin-6-one
1-methylhypoxanthine
1-methyl-1,9-dihydro-6H-purin-6-one
1-Methyl-1,9-dihydro-purin-6-one
4(3H)-quinazolinone, 2-(methylthio)-
6H-Purin-6-one, 1,7-dihydro-1-methyl-
6H-Purin-6-one, 1,7-dihydro-1-methyl- (9CI)
Hypoxanthine, 1-methyl-
Hypoxanthine, 1-methyl- (8CI)
1125-39-9
1-Methylhypoxanthine
1-methyl-6,9-dihydro-1H-purin-6-one
CHEMBL1868124
SMR001557673
AKOS005224355
SCHEMBL1992699
NSC57902
6H-PURIN-6-ONE, 1,9-DIHYDRO-1-METHYL-
2-(Methylthio)-4(3H)-quinazolinone
NCGC00246838-01
LX5WQ7JFR5
1-Methylhypoxanthin
MLS002667916
1,9-DIHYDRO-1-METHYL-6H-PURIN-6-ONE
1-methyl-1,9-dihydro-6H-purin-6-one (ACD/Name 4.0)
Q161649
SCHEMBL2115745
KIQMCGMHGVXDFW-UHFFFAOYSA-N
1,7-Dihydro-1-methyl-6H-Purin-6-one
1-Methyl-Hypoxanthine
CHEBI:73959
1-methyl-6,7-dihydro-1H-purin-6-one
BS-51735
UNII-LX5WQ7JFR5
1-Methyl-1,7-dihydro-6H-purin-6-one #
1-methyl-1H-purin-6(9H)-one
InChI=1/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8
E84444
DTXSID00150074
1-Methyl-1,7-dihydro-6H-purin-6-one
NSC 57902
NSC-57902
物化性质
实验特性
LogP
-0.34340
PSA
61.35
折射率
1.772
沸点
470°C at 760 mmHg
闪点
238.1°C
密度
1.6
计算特性
精确分子量
150.05428
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
0
同位素质量
150.054161
重原子数量
11
复杂度
215
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
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
61.4
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