6-chloro-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
Basic information
- CAS
1993-06-2- Standard SMILES
CNc1nc(C(F)(F)F)nc(Cl)c1N- InChIKey
DRFWHZKIYVGZHK-UHFFFAOYSA-N- Molecular formula
- C6H6ClF3N4
- Average molar mass
- 226.59 g/mol
- Monoisotopic mass
- 226.0233084
Names & identifiers
- Preferred name
- 6-chloro-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
- English name
- 6-CHLORO-N4-METHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE
- Molecular formula
- C6H6ClF3N4
- Molecular weight
- 226.59
Names & synonyms
1993-06-2NSC63093DTXSID50941838NSC-63093AKOS0003203544-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine6-CHLORO-N4-METHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE
Database identifiers
- CAS
1993-06-2- PubChem CID
- 247779
- DTXSID
DTXSID50941838
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
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Compound notes
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