TL;DR: 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine (CAS 14961-44-5) is a chemical compound with molecular formula C13H16N4S2 and molecular weight 292.08163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine, bis((4,6-dimethylpyrimidin-2-yl)thio)methane, AF-399/25108009, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine, 2,2'-(methanediyldisulfanediyl)bis(4,6-dimethylpyrimidine)
| Molecular Formula | C13H16N4S2 |
| Molecular Weight | 292.08163 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.08163 Da |
| Heavy Atoms | 19 |
| Complexity | 233.0 |
| SMILES | CC1=CC(=NC(=N1)SCSC2=NC(=CC(=N2)C)C)C |
| InChIKey | JXUZLBYMTFMEBL-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine. Following Lipinski's Rule of Five, 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine is 14961-44-5.
The molecular formula of 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine is C13H16N4S2.
The molecular weight of 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine is 292.08163 g/mol.
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