6-Pentyl-9-(phenylmethyl)-9H-purine
Basic information
- CAS
1293917-84-6- Standard SMILES
CCCCCc1ncnc2c1ncn2Cc1ccccc1- InChIKey
MMPOXZHROBYVAI-UHFFFAOYSA-N- Molecular formula
- C17H20N4
- Average molar mass
- 280.37 g/mol
- Monoisotopic mass
- 280.16879665
Names & identifiers
- Preferred name
- 6-Pentyl-9-(phenylmethyl)-9H-purine
- IUPAC
- 9-benzyl-6-pentylpurine
Names & synonyms
6-Pentyl-9-(phenylmethyl)-9H-purine1293917-84-6RefChem:3093039-benzyl-6-pentyl-9H-purineDTXSID401295337
Database identifiers
- CAS
1293917-84-6- PubChem CID
- 53348869
- DTXSID
DTXSID401295337- Nikkaji
- J2.947.359E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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