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Basic information
- Standard SMILES
CC(C)n1cnc2c(-c3ccc(OC4CCCCO4)cc3)ncnc21- InChIKey
XYLUDBOLEIYNGO-UHFFFAOYSA-N- Molecular formula
- C19H22N4O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.17427596
Names & identifiers
- Preferred name
- 9-isopropyl-6-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)-9H-purine
- IUPAC
- 6-[4-(oxan-2-yloxy)phenyl]-9-propan-2-ylpurine
Names & synonyms
SCHEMBL2476927XYLUDBOLEIYNGO-UHFFFAOYSA-N9-isopropyl-6-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)-9H-purine
Database identifiers
- PubChem CID
- 59447635
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Related reactions
4 records
Compound notes
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