Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate (CAS 100451-24-9) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methylsulfanyl-4-piperidin-1-ylpyrimidine-5-carboxylate
Also Known As: ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate, 7N-511S, ethyl 2-(methylsulfanyl)-4-piperidino-5-pyrimidinecarboxylate, BAS 00317800, ethyl 2-methylsulfanyl-4-piperidin-1-ylpyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C13H19N3O2S |
| Molecular Weight | 281.1198 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1198 Da |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CCCCC2)SC |
| InChIKey | JEOLNJOZGOADLV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is 100451-24-9.
What is the molecular formula of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is C13H19N3O2S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is 281.1198 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.