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15837-41-9 | 4(3H)-Pyrimidinone, 5-hydroxy-
CAS No: 15837-41-9 Catalog No: AG001Q5U MDL No:MFCD11656602
Product Description
Catalog Number:
AG001Q5U
Chemical Name:
4(3H)-Pyrimidinone, 5-hydroxy-
CAS Number:
15837-41-9
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD11656602
IUPAC Name:
5-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4N2O2/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8)
InChI Key:
URCOLWAKIPNTEM-UHFFFAOYSA-N
SMILES:
Oc1cnc[nH]c1=O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Structural modifications of 5,6-dihydroxypyrimidines with anti-HIV activity. | Bioorganic & medicinal chemistry letters 20121201 |
| In-Silico docking of HIV-1 integrase inhibitors reveals a novel drug type acting on an enzyme/DNA reaction intermediate. | Retrovirology 20070101 |
| Reaction of substituted pyrimidines with photochemically generated t-BuO* radicals. | Indian journal of biochemistry & biophysics 20051201 |
| HCV NS5b RNA-dependent RNA polymerase inhibitors: from alpha,gamma-diketoacids to 4,5-dihydroxypyrimidine- or 3-methyl-5-hydroxypyrimidinonecarboxylic acids. Design and synthesis. | Journal of medicinal chemistry 20041021 |
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