(E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577981-95-4) is a chemical compound with molecular formula C17H25N5O4 and molecular weight 363.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-[2-(4-acetylpiperazin-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[2-(4-acetylpiperazin-1-yl)ethylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-[1-[2-(4-acetylpiperazin-1-yl)ethylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H25N5O4 |
|---|---|
| Molecular Weight | 363.19 g/mol |
| LogP | -0.5987 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.19064 |
| Heavy Atoms | 26 |
| Complexity | 815.4226 |
Chemical Identifiers
| CAS Number | 577981-95-4 |
|---|---|
| SMILES | CC(=NCCN1CCN(CC1)C(=O)C)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
(E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577981-95-4), with molecular formula C17H25N5O4 and molecular weight 363.19 g/mol. IUPAC: 5-[N-[2-(4-acetylpiperazin-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.5987 indicates that (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione has 2 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 (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 577981-95-4.
What is the molecular formula of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is C17H25N5O4.
What is the molecular weight of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 363.19 g/mol.
Where can I buy (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-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 (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(1-((2-(4-acetylpiperazin-1-yl)ethyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.