5,6-Dihydroxy-2-phenylpyrimidine-4-carboxylic Acid - CAS 62222-38-2
Catalog: |
BB031462 |
Product Name: |
5,6-Dihydroxy-2-phenylpyrimidine-4-carboxylic Acid |
CAS: |
62222-38-2 |
Synonyms: |
5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid; 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid |
IUPAC Name: | 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid |
Description: | 5,6-Dihydroxy-2-phenylpyrimidine-4-carboxylic Acid (CAS# 62222-38-2) is a useful research chemical. |
Molecular Weight: | 232.19 |
Molecular Formula: | C11H8N2O4 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)O)C(=O)O |
InChI: | InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15) |
InChI Key: | ZCILTNACHNCSCB-UHFFFAOYSA-N |
LogP: | 1.25300 |
Publication Number | Title | Priority Date |
WO-2006127289-A1 | Treatment of hcv with subtherapeutic doses of ribavirin | 20050520 |
US-2005090668-A1 | Preparation of 5-hydroxy-6-oxo-1,6-dihydropyrimidine compounds | 20031028 |
EP-1470113-A1 | Pyrimidinone viral polymerase inhibitors | 20020118 |
EP-1470113-B1 | Pyrimidinone viral polymerase inhibitors | 20020118 |
EP-1309566-A1 | Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors | 20000719 |
PMID | Publication Date | Title | Journal |
29478802 | 20180501 | Pharmacophore requirements for HIV-1 reverse transcriptase inhibitors that selectively 'Freeze' the pre-translocated complex during the polymerization catalytic cycle | Bioorganic & medicinal chemistry |
19800789 | 20091101 | 2-(3-Thienyl)-5,6-dihydroxypyrimidine-4-carboxylic acids as inhibitors of HCV NS5B RdRp | Bioorganic & medicinal chemistry letters |
16509585 | 20060309 | 2-(2-Thienyl)-5,6-dihydroxy-4-carboxypyrimidines as inhibitors of the hepatitis C virus NS5B polymerase: discovery, SAR, modeling, and mutagenesis | Journal of medicinal chemistry |
15481971 | 20041021 | 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 |
15380204 | 20041018 | Active site inhibitors of HCV NS5B polymerase. The development and pharmacophore of 2-thienyl-5,6-dihydroxypyrimidine-4-carboxylic acid | Bioorganic & medicinal chemistry letters |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 99 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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