2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-(trifluoromethyl)-
Basic information
- CAS
2263-96-9- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1- InChIKey
BOMKEFCBQZPVAF-UHFFFAOYSA-N- Molecular formula
- C11H8ClF3N4
- Average molar mass
- 288.65 g/mol
- Monoisotopic mass
- 288.0389585
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-(trifluoromethyl)-
- IUPAC
- 5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
Names & synonyms
2263-96-9A8DQ3WA6BB2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-(trifluoromethyl)-NSC 211804NSC-211804DTXSID60177166Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-(trifluoromethyl)-5-(4-Chlorophenyl)-6-(trifluoromethyl)-2,4-pyrimidinediamineRefChem:197391DTXCID00996575-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamineNSC211804
Show more names
UNII-A8DQ3WA6BBDA-38613
Database identifiers
- CAS
2263-96-9- PubChem CID
- 309512
- DTXSID
DTXSID60177166- UNII
- A8DQ3WA6BB
- Nikkaji
- J423.342E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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