6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one - CAS 1979-97-1
Catalog: |
BB015306 |
Product Name: |
6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one |
CAS: |
1979-97-1 |
Synonyms: |
4-hydroxy-2-(methylthio)-5-nitro-1H-pyrimidin-6-one; 4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one |
IUPAC Name: | 4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one |
Description: | 6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one (CAS# 1979-97-1) is a useful research chemical. |
Molecular Weight: | 203.18 |
Molecular Formula: | C5H5N3O4S |
Canonical SMILES: | CSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O |
InChI: | InChI=1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10) |
InChI Key: | LMCNSMCHUYZUFF-UHFFFAOYSA-N |
MDL: | MFCD02323207 |
LogP: | 1.04110 |
Publication Number | Title | Priority Date |
WO-2020212553-A1 | New pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling | 20190418 |
CN-113329753-A | Novel pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, contaminations and dirt | 20190418 |
US-2021290625-A1 | Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling | 20190418 |
AU-2019220404-A1 | Pyrimidine derivatives for prevention and treatment of bacterial infections | 20180214 |
WO-2019158655-A1 | Pyrimidine derivatives for prevention and treatment of bacterial infections | 20180214 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.00007682 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.00007682 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 133 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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