1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
Basic information
- CAS
3567-84-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1- InChIKey
LLRTYNPSGQWCLZ-UHFFFAOYSA-N- Molecular formula
- C11H14BrN5
- Average molar mass
- 296.17 g/mol
- Monoisotopic mass
- 295.04326
Names & identifiers
- Preferred name
- 1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
- IUPAC
- 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
CHEMBL67413567-84-81-(4-bromophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochlorideGNF-Pf-1945SCHEMBL4103257DTXSID20876421BDBM50090075PD1195604,6-NH2-2,2-DIME-1(4BRPH)S-TRIAZINE1-(4-Bromophenyl)-6,6-dimethyl-1,3,5-triazinane-2,4-diimine1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
Database identifiers
- CAS
3567-84-8- PubChem CID
- 732267
- DTXSID
DTXSID20876421- ChEMBL
CHEMBL6741- Nikkaji
- J1.381.929G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
LogP1.09
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Compound notes
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