Home Nitriles 5-Pyrimidinecarbonitrile,4-amino-2-methoxy-

5-Pyrimidinecarbonitrile,4-amino-2-methoxy-

CAS No.:
6964-55-2
Catalog Number:
AG005JWH
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
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Product Description
Catalog Number:
AG005JWH
Chemical Name:
5-Pyrimidinecarbonitrile,4-amino-2-methoxy-
CAS Number:
6964-55-2
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
MDL Number:
MFCD00067828
IUPAC Name:
4-amino-2-methoxypyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H6N4O/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)
InChI Key:
CXJTWQSCORECON-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)N)C#N
NSC Number:
66689
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties