6-[(3-Bromoanilino)methyl]-5-methylquinazoline-2,4-diamine
Basic information
- CAS
52128-31-1- Standard SMILES
Cc1c(CNc2cccc(Br)c2)ccc2nc(N)nc(N)c12- InChIKey
QKZKYIOLHFHUEQ-UHFFFAOYSA-N- Molecular formula
- C16H16BrN5
- Average molar mass
- 358.24 g/mol
- Monoisotopic mass
- 357.05891
Names & identifiers
- Preferred name
- 6-[(3-Bromoanilino)methyl]-5-methylquinazoline-2,4-diamine
- IUPAC
- 6-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamine
Names & synonyms
52128-31-16-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamineNSC250420CHEMBL174194SCHEMBL9575161DTXSID30312128NSC-250420DS-0058366-[[(3-Bromophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine
Database identifiers
- CAS
52128-31-1- PubChem CID
- 317604
- DTXSID
DTXSID30312128- ChEMBL
CHEMBL174194
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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