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124491-42-5 | Ethanone, 1-(2-amino-5-pyrimidinyl)-
CAS No: 124491-42-5 Catalog No: AG000M2I MDL No:MFCD09263847
Product Description
Catalog Number:
AG000M2I
Chemical Name:
Ethanone, 1-(2-amino-5-pyrimidinyl)-
CAS Number:
124491-42-5
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD09263847
IUPAC Name:
1-(2-aminopyrimidin-5-yl)ethanone
InChI:
InChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
InChI Key:
UYVRMDUESKFUJX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(nc1)N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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