5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxamide - CAS 201996-69-2
Catalog: |
BB061613 |
Product Name: |
5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxamide |
CAS: |
201996-69-2 |
Synonyms: |
5-Bromo-2-(methylthio)pyrimidine-4-carboxamide; 5-bromo-2-methylsulfanylpyrimidine-4-carboxamide |
IUPAC Name: | 5-bromo-2-methylsulfanylpyrimidine-4-carboxamide |
Description: | 5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxamide is a building block of Favipiravir (F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal models. |
Molecular Weight: | 248.1 |
Molecular Formula: | C6H6BrN3OS |
Canonical SMILES: | CSC1=NC=C(C(=N1)C(=O)N)Br |
InChI: | InChI=1S/C6H6BrN3OS/c1-12-6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11) |
InChI Key: | GQMAAPJTCIKABW-UHFFFAOYSA-N |
References: | Oestereich, L., et al. Antiviral Res., 105, 17 (2014); Baranovich, T., et al. J. Virol. 87, 3741 (2013); Chem. and Eng. News p.8, Dec. 1 (2014). |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.9415 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.9415 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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