7,9-Dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Basic information
- CAS
58526-75-3- Standard SMILES
CN1CN(C)c2c1[nH]c(=O)[nH]c2=O- InChIKey
OSCRZLORGNTZPM-UHFFFAOYSA-N- Molecular formula
- C7H10N4O2
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.08037557
Names & identifiers
- Preferred name
- 7,9-Dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
- IUPAC
- 7,9-dimethyl-3,8-dihydropurine-2,6-dione
Names & synonyms
58526-75-3DTXSID806180067,9-Dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dioneRefChem:310023DTXCID90568760CHEMBL112004SCHEMBL6742186
Database identifiers
- CAS
58526-75-3- PubChem CID
- 21784587
- DTXSID
DTXSID80618006- ChEMBL
CHEMBL112004- Nikkaji
- J272.609B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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