6-Ethyl-1-phenyl-4-[(4-methylphenyl)amino]-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5346-60-1- Standard SMILES
CCc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1- InChIKey
XXQRMIGBMUFQRC-UHFFFAOYSA-N- Molecular formula
- C20H19N5
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16404563
Names & identifiers
- Preferred name
- 6-Ethyl-1-phenyl-4-[(4-methylphenyl)amino]-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- 6-ethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5346-60-1NSC16526-ethyl-n-(4-methylphenyl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID80968154NSC-16526-ETHYL-1-PHENYL-4-[(4-METHYLPHENYL)AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5346-60-1- PubChem CID
- 219872
- DTXSID
DTXSID80968154
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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