Home Nitriles 6-aminopyrimidine-4-carbonitrile

6-aminopyrimidine-4-carbonitrile

CAS No.:
1353100-84-1
Catalog Number:
AG01BDO8
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
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Product Description
Catalog Number:
AG01BDO8
Chemical Name:
6-aminopyrimidine-4-carbonitrile
CAS Number:
1353100-84-1
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
MDL Number:
MFCD12196508
IUPAC Name:
6-aminopyrimidine-4-carbonitrile
InChI:
InChI=1S/C5H4N4/c6-2-4-1-5(7)9-3-8-4/h1,3H,(H2,7,8,9)
InChI Key:
XEZTUEAUBMEYBJ-UHFFFAOYSA-N
SMILES:
Nc1cc(ncn1)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  
Properties