Basic information
- CAS
5401-53-6- Standard SMILES
Cc1nc(Nc2ccccc2C)c2cnn(C)c2n1- InChIKey
CIXGSBLPQIKKCQ-UHFFFAOYSA-N- Molecular formula
- C14H15N5
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.1327455
Names & identifiers
- Preferred name
- 1,6-Dimethyl-4-[(2-methylphenyl)amino]-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- 1,6-dimethyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
MLS0026375795401-53-6NSC16421,6-dimethyl-n-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine1,6-DIMETHYL-4-[(2-METHYLPHENYL)AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINECHEMBL1715447DTXSID40968837HMS3091L17NSC-1642SMR001547110
Database identifiers
- CAS
5401-53-6- PubChem CID
- 219862
- DTXSID
DTXSID40968837- ChEMBL
CHEMBL1715447
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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