Organofluorine / Alfa Chemistry
2-(Aminomethyl)-4-(trifluoromethyl)pyrimidine

2-(Aminomethyl)-4-(trifluoromethyl)pyrimidine

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2-(Aminomethyl)-4-(trifluoromethyl)pyrimidine
Catalog OFC1193721399
CAS 1193721-39-9
Category Fluorinated Pyrimidines
Synonyms N-Methyl-4-(trifluoromethyl)pyrimidin-2-amine
Purity >95%
MDL Number MFCD13176794
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
InChI Key WIQCREASEVWQBF-UHFFFAOYSA-N
Isomeric SMILES CNC1=NC=CC(=N1)C(F)(F)F
Molecular Formula C6H6F3N3
Molecular Weight 177.13
Melting Point 67-69 °C
XLogP3-AA 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 177.05138169 g/mol
Monoisotopic Mass 177.05138169 g/mol
Topological Polar Surface Area 37.8Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 148

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