2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- (CAS 42846-91-3) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Isobutylbarbituric acid, Butalbital Impurity 3, Butalbital Impurity 5, 5-isobutylbarbituricacid, isobutyl barbituric acid
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 42846-91-3 |
|---|---|
| SMILES | CC(C)CC1C(=O)NC(=O)NC1=O |
| InChIKey | CZERPPISCPPWRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- (CAS 42846-91-3), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: 5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- is 42846-91-3.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- is C8H12N2O3.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- is 184.08 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.