1-(3,5-Dioxopyrazolidin-4-yl)-3,7-dimethylpurine-2,6-dione
Basic information
- CAS
62787-56-8- Standard SMILES
Cn1cnc2c1c(=O)n(C1C(=O)NNC1=O)c(=O)n2C- InChIKey
WTTCEWRPMAIDLN-UHFFFAOYSA-N- Molecular formula
- C10H10N6O4
- Average molar mass
- 278.22 g/mol
- Monoisotopic mass
- 278.07635282
Names & identifiers
- Preferred name
- 1-(3,5-Dioxopyrazolidin-4-yl)-3,7-dimethylpurine-2,6-dione
- IUPAC
- 1-(3,5-dioxopyrazolidin-4-yl)-3,7-dimethylpurine-2,6-dione
Names & synonyms
NSC30909562787-56-8DTXSID10316942NSC-309095DS-0080141-(3,5-Dioxopyrazolidin-4-yl)-3,7-dimethyl-purine-2,6-dione1-(3,5-Dioxopyrazolidin-4-yl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
62787-56-8- PubChem CID
- 328818
- DTXSID
DTXSID10316942
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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