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89533-28-8 | 5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-
CAS No: 89533-28-8 Catalog No: AG0040KC MDL No:MFCD00126685
Product Description
Catalog Number:
AG0040KC
Chemical Name:
5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-
CAS Number:
89533-28-8
Molecular Formula:
C6H8N4OS
Molecular Weight:
184.2189
MDL Number:
MFCD00126685
IUPAC Name:
4-amino-2-methylsulfanylpyrimidine-5-carboxamide
InChI:
InChI=1S/C6H8N4OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3,(H2,8,11)(H2,7,9,10)
InChI Key:
AONIFFIPDOWSDB-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)N)C(=O)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.217g/mol
Monoisotopic Mass:
184.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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