TL;DR: 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one (CAS 1190258-12-8) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-1-methyl-5-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-hydroxy-3-methyl-5-(2-(pyridin-2-yl)ethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-1-methyl-5-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one, 6-hydroxy-1-methyl-5-(2-pyridin-2-ylethyl)-2-sulfanylidene-pyrimidin-4-one, 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one
| Molecular Formula | C12H13N3O2S |
| Molecular Weight | 263.07285 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07285 Da |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
| SMILES | CN1C(=C(C(=O)NC1=S)CCC2=CC=CC=N2)O |
| InChIKey | VBERFEZZUSZSFA-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one is 1190258-12-8.
The molecular formula of 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one is C12H13N3O2S.
The molecular weight of 6-hydroxy-3-methyl-5-[2-(pyridin-2-yl)ethyl]-2-sulfanylpyrimidin-4(3H)-one is 263.07285 g/mol.
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