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1597-36-0 | 4(3H)-Pyrimidinone, 2-amino-6-(fluoromethyl)-
CAS No: 1597-36-0 Catalog No: AG001RCC MDL No:
Product Description
Catalog Number:
AG001RCC
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-6-(fluoromethyl)-
CAS Number:
1597-36-0
Molecular Formula:
C5H6FN3O
Molecular Weight:
143.1190
IUPAC Name:
2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6FN3O/c6-2-3-1-4(10)9-5(7)8-3/h1H,2H2,(H3,7,8,9,10)
InChI Key:
XTQWOAPXKGZVAP-UHFFFAOYSA-N
SMILES:
Nc1nc(CF)cc(=O)[nH]1
NSC Number:
33039
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.121g/mol
Monoisotopic Mass:
143.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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