Cas no 1688-85-3 (1H-Purine-6,8-dione,2-amino-7,9-dihydro-7-methyl-)
1688-85-3 structure
Product Name:1H-Purine-6,8-dione,2-amino-7,9-dihydro-7-methyl-
CAS No:1688-85-3
MF:C6H7N5O2
MW:181.152079820633
CID:227704
PubChem ID:135464078
Update Time:2025-04-19
1H-Purine-6,8-dione,2-amino-7,9-dihydro-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-6,8-dione,2-amino-7,9-dihydro-7-methyl-
- 2-amino-7-methyl-3,9-dihydropurine-6,8-dione
- 2-Amino-6,8-dihydroxy-7-methylpurin
- 2-amino-7-methyl-7,9-dihydro-1H-purine-6,8-dione
- 2-Amino-7-methylpurin-6,8-diol
- 8-Hydroxy-7-methylguanine
- AC1L7C52
- CHEBI:74064
- CTK4D3132
- HMDB06037
- NSC207864
- SureCN6854343
- SureCN8668761
- Q27144377
- 8-Oxy-7-methylguanin
- 7-methyl-8-hydroxyguanine
- SCHEMBL6854343
- SCHEMBL21594798
- DTXSID90308704
- 2-amino-7-methyl-6,7,8,9-tetrahydro-3H-purine-6,8-dione
- 2-amino-7-methyl-1,9-dihydropurine-6,8-dione
- NSC 207864
- 2-amino-7-methyl-7,9-dihydro-3H-purine-6,8-dione
- NSC-207864
- SCHEMBL8668761
- CID 308075
- 1688-85-3
-
- Inchi： 1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13)
- InChI Key： VHPXSVXJBWZORQ-UHFFFAOYSA-N
- SMILES： O=C1NC2=C(C(NC(N)=N2)=O)N1C
Computed Properties
- Exact Mass: 181.06011
- Monoisotopic Mass: 181.06
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.5
- Topological Polar Surface Area: 99.8?2
Experimental Properties
- Density: 2.06
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.929
- PSA: 99.82
1H-Purine-6,8-dione,2-amino-7,9-dihydro-7-methyl- Related Literature
-
Yujie Ning,Sijie Chen,Feiyu Zhang,Yanli Liu,Feihong Chen,Shujin Li,Chaowei Wang,Yifan Wu,Yi Gong,Minhan Hu,Ruitian Huang,Xiong Guo,Lei Yang,Xi Wang Mol. Omics 2023 19 137
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