4-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
Basic information
- Standard SMILES
Nc1nc(-c2ccco2)c2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1- InChIKey
LBRPYUOVBLAKJP-UHFFFAOYSA-N- Molecular formula
- C16H12N6O3
- Average molar mass
- 336.3 g/mol
Names & identifiers
- Preferred name
- 4-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
- IUPAC
- 4-(furan-2-yl)-1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Names & synonyms
CHEMBL256360SCHEMBL4452866LBRPYUOVBLAKJP-UHFFFAOYSA-NBDBM503775344-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
Database identifiers
- PubChem CID
- 22015489
- ChEMBL
CHEMBL256360
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
6 records
Compound notes
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