2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- (CAS 53039-86-4) is a chemical compound with molecular formula C6H6N2O5 and molecular weight 186.02766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4,6-trioxo-1,3-diazinan-5-yl) acetate
Also Known As: Acetyldialuric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-, 5-(Acetyloxy)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-25-03-00270 (Beilstein Handbook Reference), (2,4,6-trioxo-1,3-diazinan-5-yl) acetate
Technical Specifications
| Molecular Formula | C6H6N2O5 |
| Molecular Weight | 186.02766 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.02766 Da |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
| SMILES | CC(=O)OC1C(=O)NC(=O)NC1=O |
| InChIKey | SFCQPXJONKIWQK-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
The XLogP value of -1.1 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- is 53039-86-4.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- is C6H6N2O5.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- is 186.02766 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-?
Yes, CoreyChem provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.