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1581-82-4 | 4(3H)-Pyrimidinone, 2-amino-6-[2-(4-fluorophenyl)ethyl]-
CAS No: 1581-82-4 Catalog No: AG001PZO MDL No:
Product Description
Catalog Number:
AG001PZO
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-6-[2-(4-fluorophenyl)ethyl]-
CAS Number:
1581-82-4
Molecular Formula:
C12H12FN3O
Molecular Weight:
233.2416
IUPAC Name:
2-amino-4-[2-(4-fluorophenyl)ethyl]-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12FN3O/c13-9-4-1-8(2-5-9)3-6-10-7-11(17)16-12(14)15-10/h1-2,4-5,7H,3,6H2,(H3,14,15,16,17)
InChI Key:
QCSPEAZMTZQLOR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CCc1cc(=O)[nH]c(n1)N
NSC Number:
56271
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.246g/mol
Monoisotopic Mass:
233.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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