TL;DR: Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- (CAS 154496-65-8) is a chemical compound with molecular formula C13H21N3S and molecular weight 251.14561 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
Also Known As: Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)-, 4-Methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)pyrimidine, 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine, 4-Methyl-6-(piperidin-1-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine
| Molecular Formula | C13H21N3S |
| Molecular Weight | 251.14561 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.14561 Da |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
| SMILES | CC1=CC(=NC(=N1)SC(C)C)N2CCCCC2 |
| InChIKey | PNDQFQDURLQLTD-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- has 0 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 Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- is 154496-65-8.
The molecular formula of Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- is C13H21N3S.
The molecular weight of Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)- is 251.14561 g/mol.
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