3672-03-5 ((2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone)

快速询单

结构式：

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-PteridinoneMOL文件

CAS号：

3672-03-5

英文名称：

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone

分子式：

C₇H₉N₅O₂

分子量：

195.178660154343

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone(3672-03-5)名称与标识符

名称

英文别名：

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone;4(1H)-pteridinone, 2-amino-7,8-dihydro-6-(hydroxymethyl)-;DTXSID00274264;2-Amino-7,8-dihydro-4-hydroxy-6-(hydroxymethyl)pteridine;Q27093187;2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4(3H)-one;2-Amino-4-hydroxy-6-(hydroxymethyl)dihydropteridine;CHEBI:17083;UNII-B46L5LR2XM;2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine;2-Amino-4-hydroxy-6-(hydroxymethyl)-7,8-dihydropteridine;2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one;NS00071560;C01300;6-Pteridinemethanol, 2-amino-7,8-dihydro-4-hydroxy-;7,8-Dihydro-6-(hydroxymethyl)pterin;2-amino-4-hydroxy-6-hydroxy-methyl-dihydropteridine;SCHEMBL230712;PD008538;2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol;6-(hydroxymethyl)-7,8-dihydropterin;CHEMBL1233322;6-HYDROXYMETHYL-7,8-DIHYDROPTERIN;2-Amino-6-(hydroxymethyl)-1,4,7,8-tetrahydropteridin-4-one;3672-03-5;2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-one;DB02119;2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE;CHEBI:44841;B46L5LR2XM;2qx0;4(3H)-Pteridinone, 2-amino-7,8-dihydro-6-(hydroxymethyl)-;

标识符

InChIKey：

CQQNNQTXUGLUEV-UHFFFAOYSA-N

Inchi：

1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)

SMILES：

OCC1CNC2=C(C(NC(N)=N2)=O)N=1

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone(3672-03-5)物化性质

实验特性

PSA : 116.65
折射率 : 1.892
沸点 : 387.1°Cat760mmHg
闪点 : 187.9°C
密度 : 1.98

计算特性

精确分子量 : 195.07577
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 195.075625
重原子数量 : 14
复杂度 : 382
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） : -2
拓扑分子极性表面积 : 112

2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone(3672-03-5)相关文献

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3. Specific inhibitors in vitamin biosynthesis. Part 7. Syntheses of blocked 7,8-dihydropteridines viaα-amino ketones
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8. Enantiomeric two-armed lanthanide-binding tags for complementary effects in paramagnetic NMR spectroscopy
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9. Emission properties of dihydropterins in aqueous solutions
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10. Specific inhibitors in vitamin biosynthesis. Part 9. Reactions of 7,7-dialkyl-7,8-dihydropteridines of use in the synthesis of potential inhibitors of tetrahydrofolate biosynthesis
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