Basic information
- Standard SMILES
COc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1OC- InChIKey
ZXLCCABWVQDAOS-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2
- Average molar mass
- 313.35 g/mol
Names & identifiers
- Preferred name
- 1-isopropyl-3-(2,3-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-isopropyl-3-(2,3-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineSCHEMBL3613209CHEMBL1242751ZXLCCABWVQDAOS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 24905178
- ChEMBL
CHEMBL1242751
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
3 records
Compound notes
Loading…