5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione
TL;DR: 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione (CAS 53943-60-5) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: methyl-5-butylbarbituric, 5-butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione, 5-butyl-5-methyl-1,3-diazinane-2,4,6-trione
Technical Specifications
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.10045 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10045 Da |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
| SMILES | CCCCC1(C(=O)NC(=O)NC1=O)C |
| InChIKey | XJBUMFHGCCXBNP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione
Property Insights of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione. Following Lipinski's Rule of Five, 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione has 2 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-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione?
The CAS number of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione is 53943-60-5.
What is the molecular formula of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular formula of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione is C9H14N2O3.
What is the molecular weight of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular weight of 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione is 198.10045 g/mol.
Where can I buy 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione?
You can request a quote for 5-Butyl-5-methylpyrimidine-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-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione?
Yes, CoreyChem provides custom synthesis services for 5-Butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.