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86944-43-6 | 2-{2-[(2,2-dimethylpropanoyl)amino]-6-oxo-3,6-dihydropyrimidin-4-yl}-2-oxoethyl acetate
CAS No: 86944-43-6 Catalog No: AG004L4N MDL No:
Product Description
Catalog Number:
AG004L4N
Chemical Name:
2-{2-[(2,2-dimethylpropanoyl)amino]-6-oxo-3,6-dihydropyrimidin-4-yl}-2-oxoethyl acetate
CAS Number:
86944-43-6
Molecular Formula:
C13H17N3O5
Molecular Weight:
295.2912
IUPAC Name:
[2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]-2-oxoethyl] acetate
InChI:
InChI=1S/C13H17N3O5/c1-7(17)21-6-9(18)8-5-10(19)15-12(14-8)16-11(20)13(2,3)4/h5H,6H2,1-4H3,(H2,14,15,16,19,20)
InChI Key:
UWKDOZAKNVKRIS-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)c1cc(=O)nc([nH]1)NC(=O)C(C)(C)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.295g/mol
Monoisotopic Mass:
295.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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