Basic information
- Standard SMILES
CCCC1CC(=O)N(Cn2cnc3c(Cl)ncnc32)C1- InChIKey
RHMDQLFADGTLRP-UHFFFAOYSA-N- Molecular formula
- C13H16ClN5O
- Average molar mass
- 293.75 g/mol
Names & identifiers
- Preferred name
- 1-[(6-chloro-9H-purin-9-yl)methyl]-4-propylpyrrolidin-2-one
- IUPAC
- 1-[(6-chloropurin-9-yl)methyl]-4-propylpyrrolidin-2-one
Names & synonyms
SCHEMBL6950039RHMDQLFADGTLRP-UHFFFAOYSA-N1-[(6-chloro-9H-purin-9-yl)methyl]-4-propylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 57743009
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
16 records
Compound notes
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