1,3,7-Trimethyl-8-(pentyloxy)-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
2197-00-4- Standard SMILES
CCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
FUNCYCMWCLFVOU-UHFFFAOYSA-N- Molecular formula
- C13H20N4O3
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.15354051
Names & identifiers
- Preferred name
- 1,3,7-Trimethyl-8-(pentyloxy)-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 1,3,7-trimethyl-8-pentoxypurine-2,6-dione
Names & synonyms
2197-00-41,3,7-trimethyl-8-(pentyloxy)-3,7-dihydro-1h-purine-2,6-dioneNSC11281DTXSID902791021H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(pentyloxy)-NSC-11281DS-002969
Database identifiers
- CAS
2197-00-4- PubChem CID
- 223546
- DTXSID
DTXSID90279102
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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