Basic information
- CAS
1542-59-2- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1- InChIKey
IFLSKJWEERCMHE-UHFFFAOYSA-N- Molecular formula
- C11H14FN5
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.12332363
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 1-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
CHEMBL70051-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine1542-59-21-(4-Fluoro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamineGNF-Pf-2380DTXSID90330904BDBM50090050CCG-225201-(4-fluorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineAKOS001661576EU-0080964
Database identifiers
- CAS
1542-59-2- PubChem CID
- 433474
- DTXSID
DTXSID90330904- ChEMBL
CHEMBL7005- Nikkaji
- J566.800J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
LogP0.37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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