5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 370074-13-8) is a chemical compound with molecular formula C9H12BrN3O3 and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-[(2-bromoethylamino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C9H12BrN3O3 |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | -0.3966 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0062 |
| Heavy Atoms | 16 |
| Complexity | 530.02637 |
Chemical Identifiers
| CAS Number | 370074-13-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NCCBr)O |
Product Overview
5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 370074-13-8), with molecular formula C9H12BrN3O3 and molecular weight 289.01 g/mol. IUPAC: 5-(2-bromoethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.3966 indicates that 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 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-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 370074-13-8.
What is the molecular formula of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C9H12BrN3O3.
What is the molecular weight of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 289.01 g/mol.
Where can I buy 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-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 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((2-bromoethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.