Methyl 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate - CAS 6153-44-2
Catalog: |
BB031162 |
Product Name: |
Methyl 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
CAS: |
6153-44-2 |
Synonyms: |
2,4-dioxo-1H-pyrimidine-6-carboxylic acid methyl ester; methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate |
IUPAC Name: | methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate |
Description: | Methyl 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS# 6153-44-2) is used in the synthesis of pyrrimidine hydrazine acids used in peptide recognition. Also used in the preparation of pyrimidines bearing an acyclic moiety. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | COC(=O)C1=CC(=O)NC(=O)N1 |
InChI: | InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11) |
InChI Key: | UUTDWTOZAWFKFW-UHFFFAOYSA-N |
Density: | 1.412 g/cm3 |
MDL: | MFCD00010564 |
LogP: | -1.15020 |
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-112022855-A | Use of a PLpro protein inhibitor in a medicament for the treatment or prevention of a novel coronavirus infection | 20200608 |
CN-112028837-A | Tilpyrimidine intermediate compound | 20190603 |
CN-112969462-A | Process for producing orotic acid derivative | 20181112 |
KR-20210071013-A | Method for producing orotic acid derivatives | 20181112 |
CN-105294575-A | Preparation method of methyl orotate | 20151203 |
PMID | Publication Date | Title | Journal |
16248105 | 20050101 | Synthesis and properties of PNA oligomers containing orotic acid derivatives | Nucleosides, nucleotides & nucleic acids |
8080452 | 19940817 | Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii | Biochemical pharmacology |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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