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857410-47-0 | 5-Pyrimidinecarbonitrile,1,2,3,6-tetrahydro-6-imino-1-methyl-2-oxo-
CAS No: 857410-47-0 Catalog No: AG004S72 MDL No:
Product Description
Catalog Number:
AG004S72
Chemical Name:
5-Pyrimidinecarbonitrile,1,2,3,6-tetrahydro-6-imino-1-methyl-2-oxo-
CAS Number:
857410-47-0
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
IUPAC Name:
6-amino-1-methyl-2-oxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H6N4O/c1-10-5(8)4(2-7)3-9-6(10)11/h3H,8H2,1H3
InChI Key:
HBUBLLJFAXKKML-UHFFFAOYSA-N
SMILES:
Cn1c(=N)c(c[nH]c1=O)C#N
Properties
Complexity:
306
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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