Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 123629-47-0) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-methyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BAS 01212145, ethyl 6-methyl-4-(pyridin-3-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, AB00122476-01, ethyl 6-methyl-4-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C13H15N3O2S |
| Molecular Weight | 277.0885 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0885 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CN=CC=C2)C |
| InChIKey | JPYRFQAGJBOJFZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 4 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 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 123629-47-0.
What is the molecular formula of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C13H15N3O2S.
What is the molecular weight of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 277.0885 g/mol.
Where can I buy Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 6-methyl-4-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.