6-Chloro-9-(6-methoxytetrahydro-2h-pyran-2-yl)-9h-purine
Basic information
- CAS
62908-68-3- Standard SMILES
COC1CCCC(n2cnc3c(Cl)ncnc32)O1- InChIKey
BOCVZJVZRLTMFU-UHFFFAOYSA-N- Molecular formula
- C11H13ClN4O2
- Average molar mass
- 268.7 g/mol
- Monoisotopic mass
- 268.0727034
Names & identifiers
- Preferred name
- 6-Chloro-9-(6-methoxytetrahydro-2h-pyran-2-yl)-9h-purine
- IUPAC
- 6-chloro-9-(6-methoxyoxan-2-yl)purine
Names & synonyms
62908-68-36-chloro-9-(6-methoxytetrahydro-2h-pyran-2-yl)-9h-purine6-Chloro-9-(6-methoxyoxan-2-yl)-9H-purineNSC46382DTXSID70286536NSC-46382
Database identifiers
- CAS
62908-68-3- PubChem CID
- 240285
- DTXSID
DTXSID70286536
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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