5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
TL;DR: 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione (CAS 66940-94-1) is a chemical compound with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: d,l-5,5-Diethyl-1-(1-methylbutyl)barbituric acid, 4-24-00-01907 (Beilstein Handbook Reference), BARBITURIC ACID, 5,5-DIETHYL-1-(1-METHYLBUTYL)-, d,l-, 5,5-diethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione, 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C13H22N2O3 |
|---|---|
| Molecular Weight | 254.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.16304 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 66940-94-1 |
|---|---|
| SMILES | CCCC(C)N1C(=O)C(C(=O)NC1=O)(CC)CC |
| InChIKey | ZKOUCAYPWREBSF-UHFFFAOYSA-N |
Product Overview
5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione (CAS 66940-94-1), with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol. IUPAC: 5,5-diethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
Property Insights of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.2 indicates that 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione 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
Frequently Asked Questions
What is the CAS number of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione?
The CAS number of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione is 66940-94-1.
What is the molecular formula of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione is C13H22N2O3.
What is the molecular weight of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione is 254.16 g/mol.
Where can I buy 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyl-6-hydroxy-3-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.