1-Benzyl-4,6-dimethylpyrimidin-1-ium
TL;DR: 1-Benzyl-4,6-dimethylpyrimidin-1-ium (CAS 775238-57-8) is a chemical compound with molecular formula C13H15N2+ and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4,6-dimethylpyrimidin-1-ium
Also Known As: 1-benzyl-4,6-dimethylpyrimidin-1-ium, 4,6-dimethyl-1-benzylpyrimidine
| Molecular Formula | C13H15N2+ |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 2.03424 |
| Topological Polar Surface Area | 16.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.12352 |
| Heavy Atoms | 15 |
| Complexity | 449.34805 |
Chemical Identifiers
| CAS Number | 775238-57-8 |
|---|---|
| SMILES | CC1=CC(=[N+](C=N1)CC2=CC=CC=C2)C |
Product Overview
1-Benzyl-4,6-dimethylpyrimidin-1-ium (CAS 775238-57-8), with molecular formula C13H15N2+ and molecular weight 199.12 g/mol. IUPAC: 1-benzyl-4,6-dimethylpyrimidin-1-ium.
Chemical Property Profile of 1-Benzyl-4,6-dimethylpyrimidin-1-ium
Property Insights of 1-Benzyl-4,6-dimethylpyrimidin-1-ium
The XLogP value of 2.03424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4,6-dimethylpyrimidin-1-ium. With a topological polar surface area (TPSA) of 16.77 Ų, 1-Benzyl-4,6-dimethylpyrimidin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4,6-dimethylpyrimidin-1-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-Benzyl-4,6-dimethylpyrimidin-1-ium?
The CAS number of 1-Benzyl-4,6-dimethylpyrimidin-1-ium is 775238-57-8.
What is the molecular formula of 1-Benzyl-4,6-dimethylpyrimidin-1-ium?
The molecular formula of 1-Benzyl-4,6-dimethylpyrimidin-1-ium is C13H15N2+.
What is the molecular weight of 1-Benzyl-4,6-dimethylpyrimidin-1-ium?
The molecular weight of 1-Benzyl-4,6-dimethylpyrimidin-1-ium is 199.12 g/mol.
Where can I buy 1-Benzyl-4,6-dimethylpyrimidin-1-ium?
You can request a quote for 1-Benzyl-4,6-dimethylpyrimidin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4,6-dimethylpyrimidin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4,6-dimethylpyrimidin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.