Home Other Building Blocks 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE

2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE

CAS No.:
1023817-05-1
Catalog Number:
AG01DUXA
Molecular Formula:
C5H5F3N4
Molecular Weight:
178.1152
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Product Description
Catalog Number:
AG01DUXA
Chemical Name:
2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE
CAS Number:
1023817-05-1
Molecular Formula:
C5H5F3N4
Molecular Weight:
178.1152
MDL Number:
MFCD09881362
IUPAC Name:
2-(trifluoromethyl)pyrimidine-4,5-diamine
InChI:
InChI=1S/C5H5F3N4/c6-5(7,8)4-11-1-2(9)3(10)12-4/h1H,9H2,(H2,10,11,12)
InChI Key:
JIMAHMXSFTXDGJ-UHFFFAOYSA-N
SMILES:
Nc1cnc(nc1N)C(F)(F)F
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.118g/mol
Monoisotopic Mass:
178.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties