Basic information
- Standard SMILES
CCN(CC)CCNC(=O)CCn1cnc2c(=O)[nH]cnc21- InChIKey
AMGFHGILHRQLIC-UHFFFAOYSA-N- Molecular formula
- C14H22N6O2
- Average molar mass
- 306.36 g/mol
- Monoisotopic mass
- 306.18042397
Names & identifiers
- Preferred name
- 3-(1,6-dihydro-6-oxo-9H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
- IUPAC
- N-[2-(diethylamino)ethyl]-3-(6-oxo-1H-purin-9-yl)propanamide
Names & synonyms
SCHEMBL7397424AMGFHGILHRQLIC-UHFFFAOYSA-N3-(1,6-dihydro-6-oxo-9H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
Database identifiers
- PubChem CID
- 136107595
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Compound notes
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