Basic information
- Standard SMILES
CCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCCCl)c2n1- InChIKey
HJVVEVKPGZXPDJ-JTQLQIEISA-N- Molecular formula
- C15H24ClN5O2
- Average molar mass
- 341.83 g/mol
Names & identifiers
- Preferred name
- 9-(4-Chlorobutyl)-2-{[(1S)-1-methylbutyl]oxy}-8-(methyloxy)-9H-purin-6-amine
- IUPAC
- 9-(4-chlorobutyl)-8-methoxy-2-[(2S)-pentan-2-yl]oxypurin-6-amine
Names & synonyms
SCHEMBL1919086HJVVEVKPGZXPDJ-JTQLQIEISA-N9-(4-Chlorobutyl)-2-{[(1S)-1-methylbutyl]oxy}-8-(methyloxy)-9H-purin-6-amine
Database identifiers
- PubChem CID
- 58290933
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Related reactions
5 records
Compound notes
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