1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 107147-53-5) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 1-o-Tolyl-pyrimidine-2,4,6-trione, 1-o-Tolylbarbituric acid, 1-(2-methylphenyl)barbituric acid, 1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione, 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Technical Specifications
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.06914 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.06914 Da |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)CC(=O)NC2=O |
| InChIKey | PDTAPBCSMRZOLO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione 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 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 107147-53-5.
What is the molecular formula of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C11H10N2O3.
What is the molecular weight of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 218.06914 g/mol.
Where can I buy 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1-(o-tolyl)pyrimidine-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 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, CoreyChem provides custom synthesis services for 1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.