Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate
TL;DR: Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate (CAS 1513-09-3) is a chemical compound with molecular formula C14H14FN3O2 and molecular weight 275.107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate
Also Known As: ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C14H14FN3O2 |
| Molecular Weight | 275.107 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.107 Da |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2F)C |
| InChIKey | CGZCRTHZFZALAV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate
Property Insights of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate
The XLogP value of 3.3 indicates that Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate has 1 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 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate?
The CAS number of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate is 1513-09-3.
What is the molecular formula of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate is C14H14FN3O2.
What is the molecular weight of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate is 275.107 g/mol.
Where can I buy Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(2-fluoroanilino)-2-methylpyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.