4-[(M-Bromophenyl)amino]-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5334-57-6- Standard SMILES
Brc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1- InChIKey
IMJDTGSREWPDLE-UHFFFAOYSA-N- Molecular formula
- C17H12BrN5
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.02761
Names & identifiers
- Preferred name
- 4-[(M-Bromophenyl)amino]-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- N-(3-bromophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5334-57-6NSC14404-[(M-BROMOPHENYL)AMINO]-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINEn-(3-bromophenyl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID80967960NSC-1440
Database identifiers
- CAS
5334-57-6- PubChem CID
- 219767
- DTXSID
DTXSID80967960
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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