5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 114702-43-1) is a chemical compound with molecular formula C13H11FN2O3 and molecular weight 262.07538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(4-fluorophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(4-fluorobenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(4-fluorobenzylidene)-1,3-dimethylhexahydro-pyrimidine-2,4,6-trione
Technical Specifications
| Molecular Formula | C13H11FN2O3 |
| Molecular Weight | 262.07538 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.07538 Da |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
| SMILES | CN1C(=O)C(=CC2=CC=C(C=C2)F)C(=O)N(C1=O)C |
| InChIKey | ZIHHXKMCERNWNB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. With a topological polar surface area (TPSA) of 57.7 Ų, 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 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 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 114702-43-1.
What is the molecular formula of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C13H11FN2O3.
What is the molecular weight of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 262.07538 g/mol.
Where can I buy 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, CoreyChem provides custom synthesis services for 5-(4-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.