Home Nitriles 5-Pyrimidinecarbonitrile, 4-amino-6-methyl- (6CI,9CI)

5-Pyrimidinecarbonitrile, 4-amino-6-methyl- (6CI,9CI)

CAS No.:
76574-44-2
Catalog Number:
AG00G47N
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
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Product Description
Catalog Number:
AG00G47N
Chemical Name:
5-Pyrimidinecarbonitrile, 4-amino-6-methyl- (6CI,9CI)
CAS Number:
76574-44-2
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
MDL Number:
MFCD01312248
IUPAC Name:
4-amino-6-methylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H6N4/c1-4-5(2-7)6(8)10-3-9-4/h3H,1H3,(H2,8,9,10)
InChI Key:
HFTQOHMFCTUMHL-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)ncnc1N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties