1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium
TL;DR: 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium (CAS 45656-71-1) is a chemical compound with molecular formula C6H9N2O+ and molecular weight 125.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylpyrimidin-1-ium-2-one
Also Known As: 1,3-dimethylpyrimidin-1-ium-2-one, 1,3-dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium, 1,3-dimethyl-3-hydropyrimidin-2-one, J2.597.037C, 1,3-DIMETHYL-2-OXO-2,3-DIHYDROPYRIMIDIN-1-IUM
| Molecular Formula | C6H9N2O+ |
|---|---|
| Molecular Weight | 125.07 g/mol |
| LogP | -0.7902 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.07149 |
| Heavy Atoms | 9 |
| Complexity | 240.75552 |
Chemical Identifiers
| CAS Number | 45656-71-1 |
|---|---|
| SMILES | CN1C=CC=[N+](C1=O)C |
Product Overview
1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium (CAS 45656-71-1), with molecular formula C6H9N2O+ and molecular weight 125.07 g/mol. IUPAC: 1,3-dimethylpyrimidin-1-ium-2-one.
Chemical Property Profile of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium
Property Insights of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium
The XLogP value of -0.7902 indicates that 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.88 Ų, 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium has 0 hydrogen bond donor(s) and 1 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 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium?
The CAS number of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium is 45656-71-1.
What is the molecular formula of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium?
The molecular formula of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium is C6H9N2O+.
What is the molecular weight of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium?
The molecular weight of 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium is 125.07 g/mol.
Where can I buy 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium?
You can request a quote for 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2-oxo-1,2-dihydropyrimidin-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.