![5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/3545/354545-56-5.webp)
5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 354545-56-5) is a chemical compound with molecular formula C17H27N5O4 and molecular weight 365.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]pyrimidine-2,4-dione
Also Known As: 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 6-Hydroxy-1,3-dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]pyrimidine-2,4-dione, 1,3-dimethyl-5-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethylamino]methylidene]-1,3-diazinane-2,4,6-trione, 5-(((2-(4-isobutyrylpiperazin-1-yl)ethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C17H27N5O4 |
|---|---|
| Molecular Weight | 365.21 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.2063 |
| Heavy Atoms | 26 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 354545-56-5 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)CCN=CC2=C(N(C(=O)N(C2=O)C)C)O |
| InChIKey | UCCRYNKSGVZCEC-UHFFFAOYSA-N |
Product Overview
5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 354545-56-5), with molecular formula C17H27N5O4 and molecular weight 365.21 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of -0.6 indicates that 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 6 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-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 354545-56-5.
What is the molecular formula of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C17H27N5O4.
What is the molecular weight of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 365.21 g/mol.
Where can I buy 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-({[2-(4-isobutyryl-1-piperazinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.