TL;DR: Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- (CAS 14961-46-7) is a chemical compound with molecular formula C15H20N4S2 and molecular weight 320.11295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 1,3-Bis(4,6-dimethylpyrimidinyl-2-thio)propane, 5-23-11-00166 (Beilstein Handbook Reference), Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-, 2,2'-(1,3-Propanediylbis(thio))bis(4,6-dimethylpyrimidine), 2-({3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]PROPYL}SULFANYL)-4,6-DIMETHYLPYRIMIDINE
| Molecular Formula | C15H20N4S2 |
| Molecular Weight | 320.11295 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.11295 Da |
| Heavy Atoms | 21 |
| Complexity | 257.0 |
| SMILES | CC1=CC(=NC(=N1)SCCCSC2=NC(=CC(=N2)C)C)C |
| InChIKey | CJPQTYVDZBGCFN-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- 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 Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-. Following Lipinski's Rule of Five, Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- 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 Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- is 14961-46-7.
The molecular formula of Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- is C15H20N4S2.
The molecular weight of Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl- is 320.11295 g/mol.
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