Cas no 58526-75-3 (1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl-)
58526-75-3 structure
Product Name:1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl-
CAS No:58526-75-3
MF:C7H10N4O2
MW:182.17990064621
CID:341747
PubChem ID:21784587
Update Time:2025-04-19
1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl-
- 7,9-dimethyl-3,8-dihydropurine-2,6-dione
- CHEMBL112004
- 7,9-Dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
- SCHEMBL6742186
- 58526-75-3
- DTXSID80618006
-
- Inchi： 1S/C7H10N4O2/c1-10-3-11(2)5-4(10)6(12)9-7(13)8-5/h3H2,1-2H3,(H2,8,9,12,13)
- InChI Key： OSCRZLORGNTZPM-UHFFFAOYSA-N
- SMILES： O=C1C2=C(NC(N1)=O)N(C)CN2C
Computed Properties
- Exact Mass: 182.0805
- Monoisotopic Mass: 182.08037557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 323
- 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: -0.4
- Topological Polar Surface Area: 64.7?2
Experimental Properties
- PSA: 64.68
1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
58526-75-3 (1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-7,9-dimethyl-) Related Products
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