5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 14077-82-8) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: isoamylbarbituric acid, 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione, 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 14077-82-8 |
|---|---|
| SMILES | CC(C)CCC1C(=O)NC(=O)NC1=O |
| InChIKey | JXDJNYNWLLLKCG-UHFFFAOYSA-N |
Product Overview
5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 14077-82-8), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methylbutyl)pyrimidine-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-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(3-Methylbutyl)pyrimidine-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
Frequently Asked Questions
What is the CAS number of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 14077-82-8.
What is the molecular formula of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C9H14N2O3.
What is the molecular weight of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 198.10 g/mol.
Where can I buy 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.