Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 149771-10-8) is a chemical compound with molecular formula C9H9F3N2O2 and molecular weight 234.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 2-methyl-4-(trifluoromethyl)-5-pyrimidinecarboxylate, ethyl 2-methyl-4-trifluoromethylpyrimidine-5-carboxylate, 7W-0316, Ethyl 4-(trifluoromethyl)-2-methylpyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.06161 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06161 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1C(F)(F)F)C |
| InChIKey | VMWMGUFOGFSMFY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 7 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-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate is 149771-10-8.
What is the molecular formula of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate is C9H9F3N2O2.
What is the molecular weight of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate is 234.06161 g/mol.
Where can I buy Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.