Home Nitriles 2-Pyrimidinecarbonitrile, 4-amino-

2-Pyrimidinecarbonitrile, 4-amino-

CAS No.:
245321-46-4
Catalog Number:
AG002OG5
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$528
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Product Description
Catalog Number:
AG002OG5
Chemical Name:
2-Pyrimidinecarbonitrile, 4-amino-
CAS Number:
245321-46-4
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
MDL Number:
MFCD09834970
IUPAC Name:
4-aminopyrimidine-2-carbonitrile
InChI:
InChI=1S/C5H4N4/c6-3-5-8-2-1-4(7)9-5/h1-2H,(H2,7,8,9)
InChI Key:
MRINWLDDTZFLSW-UHFFFAOYSA-N
SMILES:
Nc1ccnc(n1)C#N
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.044g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.115g/mol
Monoisotopic Mass:
120.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors. Bioorganic & medicinal chemistry letters 20080815
Properties