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86944-19-6 | 4-Pyrimidineaceticacid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-1,6-dihydro-a,6-dioxo-, methyl ester
CAS No: 86944-19-6 Catalog No: AG004HMB MDL No:
Product Description
Catalog Number:
AG004HMB
Chemical Name:
4-Pyrimidineaceticacid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-1,6-dihydro-a,6-dioxo-, methyl ester
CAS Number:
86944-19-6
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
IUPAC Name:
methyl 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]-2-oxoacetate
InChI:
InChI=1S/C12H15N3O5/c1-12(2,3)10(19)15-11-13-6(5-7(16)14-11)8(17)9(18)20-4/h5H,1-4H3,(H2,13,14,15,16,19)
InChI Key:
IZFIPQVNFALTRO-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1[nH]c(nc(=O)c1)NC(=O)C(C)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
281.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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