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2950-83-6 | 1(2H)-Pyrimidinebutanoic acid, 3,4-dihydro-2,4-dioxo-
CAS No: 2950-83-6 Catalog No: AG002YKW MDL No:
Product Description
Catalog Number:
AG002YKW
Chemical Name:
1(2H)-Pyrimidinebutanoic acid, 3,4-dihydro-2,4-dioxo-
CAS Number:
2950-83-6
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
4-(2,4-dioxopyrimidin-1-yl)butanoic acid
InChI:
InChI=1S/C8H10N2O4/c11-6-3-5-10(8(14)9-6)4-1-2-7(12)13/h3,5H,1-2,4H2,(H,12,13)(H,9,11,14)
InChI Key:
QUNMTFIUXOCVPQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1ccc(=O)[nH]c1=O
NSC Number:
74247
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Investigation of acyclic uridine amide and 5'-amido nucleoside analogues as potential inhibitors of the Plasmodium falciparum dUTPase. | Bioorganic & medicinal chemistry 20130915 |
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