2-Chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
Basic information
- CAS
847862-98-0- Standard SMILES
Cc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1- InChIKey
OZWOVYUILXZEPP-UHFFFAOYSA-N- Molecular formula
- C12H9ClF3N3
- Average molar mass
- 287.67 g/mol
- Monoisotopic mass
- 287.0437095
Names & identifiers
- Preferred name
- 2-Chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
- IUPAC
- 2-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
Names & synonyms
847862-98-02-Chloro-N-(p-tolyl)-5-(trifluoromethyl)pyrimidin-4-amine(2-chloro-5-trifluoromethyl-pyrimidin-4-yl)-p-tolyl-amine2-Chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amineSCHEMBL5561868DTXSID90620155OZWOVYUILXZEPP-UHFFFAOYSA-NDA-32117
Database identifiers
- CAS
847862-98-0- PubChem CID
- 21923097
- DTXSID
DTXSID90620155
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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