6-Chloro-3-methyluracil - CAS 4318-56-3
Catalog: |
BB025352 |
Product Name: |
6-Chloro-3-methyluracil |
CAS: |
4318-56-3 |
Synonyms: |
6-chloro-3-methyl-1H-pyrimidine-2,4-dione; 6-chloro-3-methyl-1H-pyrimidine-2,4-dione |
IUPAC Name: | 6-chloro-3-methyl-1H-pyrimidine-2,4-dione |
Description: | 6-Chloro-3-methyluracil have been used in the synthesis of antibacterial agents as inhibitors of Helicobacter pylori glutamate racemase. |
Molecular Weight: | 160.56 |
Molecular Formula: | C5H5ClN2O2 |
Canonical SMILES: | CN1C(=O)C=C(NC1=O)Cl |
InChI: | InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10) |
InChI Key: | SGLXGFAZAARYJY-UHFFFAOYSA-N |
Boiling Point: | 268.7 °C at 760 mmHg |
Density: | 1.51 g/cm3 |
MDL: | MFCD01074837 |
LogP: | -0.27300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939937-A | Synthetic process of trelagliptin succinate | 20210301 |
CN-112480075-A | Refining method of trelagliptin succinate | 20201222 |
CN-112694465-A | Novel preparation process of trelagliptin succinate | 20201222 |
CN-112898267-A | Refining method of alogliptin benzoate | 20201222 |
CN-112759576-A | Novel preparation process of alogliptin benzoate | 20201221 |
PMID | Publication Date | Title | Journal |
19924760 | 20091201 | Investigation of trypanothione reductase as a drug target in Trypanosoma brucei | ChemMedChem |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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