Methyl 4-Formyl-2-pyrimidinecarboxylate - CAS 944901-31-9
Catalog: |
BB063709 |
Product Name: |
Methyl 4-Formyl-2-pyrimidinecarboxylate |
CAS: |
944901-31-9 |
Synonyms: |
METHYL 4-FORMYLPYRIMIDINE-2-CARBOXYLATE |
IUPAC Name: | methyl 4-formylpyrimidine-2-carboxylate |
Description: | Methyl 4-Formyl-2-pyrimidinecarboxylate is used in the preparation of benzooxazolylcarboxamide derivatives, used as a medicamention for treating Hemagglutinin related diseases. |
Molecular Weight: | 166.13 |
Molecular Formula: | C7H6N2O3 |
Canonical SMILES: | COC(=O)C1=NC=CC(=N1)C=O |
InChI: | InChI=1S/C7H6N2O3/c1-12-7(11)6-8-3-2-5(4-10)9-6/h2-4H,1H3 |
InChI Key: | BIDIBNROAUBFBZ-UHFFFAOYSA-N |
References: | Li, Y., et al. From PCT Int. Appl. (2021), WO 2021032209 A1 20210225. |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03784206 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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