5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 89227-65-6) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione
Also Known As: 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-dimethylaminomethylenebarbituric acid, 5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione, 5-[(DIMETHYLAMINO)METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE, J1.486.733C
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 89227-65-6 |
|---|---|
| SMILES | CN(C)C=C1C(=O)NC(=O)NC1=O |
| InChIKey | IFJJJQASQZGSAC-UHFFFAOYSA-N |
Product Overview
5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 89227-65-6), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of -0.8 indicates that 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 hydrogen bond donor(s) and 4 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-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 89227-65-6.
What is the molecular formula of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C7H9N3O3.
What is the molecular weight of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 183.06 g/mol.
Where can I buy 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-((Dimethylamino)methylene)-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-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-((Dimethylamino)methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.