8-(Hexyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
6279-38-5- Standard SMILES
CCCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
IBYWDJURAOCAJV-UHFFFAOYSA-N- Molecular formula
- C14H22N4O3
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.16919058
Names & identifiers
- Preferred name
- 8-(Hexyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-hexoxy-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
6279-38-58-(Hexyloxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-(hexyloxy)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-(hexyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC11298DTXSID80279111NSC-11298
Database identifiers
- CAS
6279-38-5- PubChem CID
- 223563
- DTXSID
DTXSID80279111
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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