Basic information
- CAS
1522712-19-1- Standard SMILES
CCc1nc(N)cc(Nc2ccc(F)c(Cl)c2)n1- InChIKey
LVHCVFLEAICBKY-UHFFFAOYSA-N- Molecular formula
- C12H12ClFN4
- Average molar mass
- 266.7 g/mol
- Monoisotopic mass
- 266.0734523
Names & identifiers
- Preferred name
- N~4~-(3-Chloro-4-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
- IUPAC
- 4-N-(3-chloro-4-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
Names & synonyms
DTXSID501186640AKOS0195022354,6-Pyrimidinediamine, N4-(3-chloro-4-fluorophenyl)-2-ethyl-N~4~-(3-Chloro-4-fluorophenyl)-2-ethylpyrimidine-4,6-diamine1522712-19-1
Database identifiers
- CAS
1522712-19-1- PubChem CID
- 80933402
- DTXSID
DTXSID501186640
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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