1-(4,6-Dimethylpyrimidin-2-yl)-3-(3-(trifluoromethyl)phenyl)guanidine

HCID 2869641

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Basic information

CAS: 94828-52-1
Standard SMILES: Cc1cc(C)nc(N=C(N)Nc2cccc(C(F)(F)F)c2)n1
InChIKey: XSCWWXRTVRDOFC-UHFFFAOYSA-N
Molecular formula: C14H14F3N5
Average molar mass: 309.29 g/mol
Monoisotopic mass: 309.12012995

Names & identifiers

Preferred name: 1-(4,6-Dimethylpyrimidin-2-yl)-3-(3-(trifluoromethyl)phenyl)guanidine
IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-1-[3-(trifluoromethyl)phenyl]guanidine

Names & synonyms

94828-52-11-(4,6-Dimethylpyrimidin-2-yl)-3-(3-(trifluoromethyl)phenyl)guanidineN-(4,6-dimethylpyrimidin-2-yl)-N'-[3-(trifluoromethyl)phenyl]guanidine2-(4,6-dimethylpyrimidin-2-yl)-1-[3-(trifluoromethyl)phenyl]guanidineN'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]guanidineH32206

Database identifiers

CAS: 94828-52-1
PubChem CID: 2869641

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 388

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