2-(trifluoromethyl)pyrimidine-4,6-diamine


Chemical Name: 2-(trifluoromethyl)pyrimidine-4,6-diamine
CAS Number: 672-46-8
Product Number: AG00FH3R(AGN-PC-0JOHQ5)
Synonyms:
MDL No:
Molecular Formula: C5H5F3N4
Molecular Weight: 178.1152096

Identification/Properties


Computed Properties
Molecular Weight:
178.118g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
0
Exact Mass:
178.047g/mol
Monoisotopic Mass:
178.047g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
149
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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