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16869-86-6 | 2,4(1H,3H)-Pyrimidinedione, 5-[(2-fluoroethyl)amino]-
CAS No: 16869-86-6 Catalog No: AG001Y82 MDL No:
Product Description
Catalog Number:
AG001Y82
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[(2-fluoroethyl)amino]-
CAS Number:
16869-86-6
Molecular Formula:
C6H8FN3O2
Molecular Weight:
173.1450
IUPAC Name:
5-(2-fluoroethylamino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H8FN3O2/c7-1-2-8-4-3-9-6(12)10-5(4)11/h3,8H,1-2H2,(H2,9,10,11,12)
InChI Key:
RPXSHKRRDGBPMJ-UHFFFAOYSA-N
SMILES:
FCCNc1c[nH]c(=O)[nH]c1=O
NSC Number:
94005
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.147g/mol
Monoisotopic Mass:
173.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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