1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(3-fluorophenyl)-N4-[2-[(1-methylethyl)amino]ethyl]-
Basic information
- CAS
1260776-41-7- Standard SMILES
CC(C)NCCNc1nc(Cl)nc(Nc2cccc(F)c2)n1- InChIKey
ZVPPGIHNQKZOKC-UHFFFAOYSA-N- Molecular formula
- C14H18ClFN6
- Average molar mass
- 324.78 g/mol
- Monoisotopic mass
- 324.1265505
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(3-fluorophenyl)-N4-[2-[(1-methylethyl)amino]ethyl]-
- IUPAC
- 6-chloro-2-N-(3-fluorophenyl)-4-N-[2-(propan-2-ylamino)ethyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
DTXSID7011198931,3,5-Triazine-2,4-diamine, 6-chloro-N2-(3-fluorophenyl)-N4-[2-[(1-methylethyl)amino]ethyl]-1260776-41-76-Chloro-N~2~-(3-fluorophenyl)-N~4~-{2-[(propan-2-yl)amino]ethyl}-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
1260776-41-7- PubChem CID
- 53418682
- DTXSID
DTXSID701119893
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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