5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5419-00-1) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-1-phenylbarbituric acid, Barbituric acid, 5-ethyl-1-phenyl-, CHEMPACIFIC 39980, 1-Phenyl-5-ethylbarbituric acid, 3-Phenyl-5-ethylbarbituric acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.0848 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2 |
| InChIKey | IEZTZCXBBTUQMD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 5419-00-1.
What is the molecular formula of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C12H12N2O3.
What is the molecular weight of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 232.0848 g/mol.
Where can I buy 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, CoreyChem provides custom synthesis services for 5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.