Basic information
- CAS
13794-62-2- Standard SMILES
Nc1nc(N)c2cc(NCc3ccc(Br)cc3)ccc2n1- InChIKey
LMUBASGPRGSSLR-UHFFFAOYSA-N- Molecular formula
- C15H14BrN5
- Average molar mass
- 344.21 g/mol
- Monoisotopic mass
- 343.04326
Names & identifiers
- Preferred name
- 2,6-Quinazolinetriamine, N(6)-[(4-bromophenyl)methyl]-
- IUPAC
- 6-N-[(4-bromophenyl)methyl]quinazoline-2,4,6-triamine
Names & synonyms
13794-62-2NSC80442CHEMBL3664512,6-Quinazolinetriamine, N(6)-[(4-bromophenyl)methyl]-DTXSID80929947NSC-80442N-[(4-Bromophenyl)methyl]-2,4-diimino-1,2,3,4-tetrahydroquinazolin-6-amine
Database identifiers
- CAS
13794-62-2- PubChem CID
- 255181
- DTXSID
DTXSID80929947- ChEMBL
CHEMBL366451
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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