Basic information
- Standard SMILES
COc1nc2c(N)nc(OCCC(C)C)nc2n1CC1CCOCC1- InChIKey
JDEFKLYFVKLFSL-UHFFFAOYSA-N- Molecular formula
- C17H27N5O3
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 2-[(3-Methylbutyl)oxy]-8-(methoxy)-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-Purin-6-amine
- IUPAC
- 8-methoxy-2-(3-methylbutoxy)-9-(oxan-4-ylmethyl)purin-6-amine
Names & synonyms
SCHEMBL2197718JDEFKLYFVKLFSL-UHFFFAOYSA-N2-[(3-Methylbutyl)oxy]-8-(methoxy)-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-Purin-6-amine2-[(3-methylbutyl)oxy]-8-methoxy-9-(tetrahydro-2H-pyran-4-ylmethyl)-9H-purin-6-amine
Database identifiers
- PubChem CID
- 57699786
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 408
Related reactions
4 records
Compound notes
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