n-(3-Bromophenyl)-1-(4-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5346-50-9- Standard SMILES
Cc1nc(Nc2cccc(Br)c2)c2cnn(-c3ccc(Cl)cc3)c2n1- InChIKey
GRARQVXFBRAWCU-UHFFFAOYSA-N- Molecular formula
- C18H13BrClN5
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 413.00429
Names & identifiers
- Preferred name
- n-(3-Bromophenyl)-1-(4-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-(3-bromophenyl)-1-(4-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
n-(3-bromophenyl)-1-(4-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine5346-50-9NSC1624DTXSID50277306NSC-16244-(3-BROMOANILINO)-1-(4-CHLOROPHENYL)-6-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5346-50-9- PubChem CID
- 219844
- DTXSID
DTXSID50277306
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
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Compound notes
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