Basic information
- Standard SMILES
Nc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1- InChIKey
ONVWTFFLKUKVPB-UHFFFAOYSA-N- Molecular formula
- C16H14N6O
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.12290909
Names & identifiers
- Preferred name
- 1-(3-Aminobenzyl)-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
- IUPAC
- 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
Names & synonyms
CHEMBL258181SCHEMBL4452802ONVWTFFLKUKVPB-UHFFFAOYSA-NBDBM503775311-(3-Aminobenzyl)-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
Database identifiers
- PubChem CID
- 22015499
- ChEMBL
CHEMBL258181
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
5 records
Compound notes
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