Home Other Building Blocks 2-cyano-N-(pyrimidin-2-yl)acetamide

2-cyano-N-(pyrimidin-2-yl)acetamide

CAS No.:
90158-72-8
Catalog Number:
AG01A3KI
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
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Product Description
Catalog Number:
AG01A3KI
Chemical Name:
2-cyano-N-(pyrimidin-2-yl)acetamide
CAS Number:
90158-72-8
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD03388118
IUPAC Name:
2-cyano-N-pyrimidin-2-ylacetamide
InChI:
InChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12)
InChI Key:
ZQQDHDUYVWOSSB-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ncccn1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties