![2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate structure](/static/products/5226/522659-40-1.webp)
2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
TL;DR: 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate (CAS 522659-40-1) is a chemical compound with molecular formula C13H18N4O2S2 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate
Also Known As: ChemDiv3_004979, IDI1_022889, 2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate, BRD-K39527286-001-01-5, N-(4,6-dimethylpyrimidin-2-yl)-2-(morpholin-4-ylthioxomethylthio)acetamide
| Molecular Formula | C13H18N4O2S2 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08713 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 522659-40-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)CSC(=S)N2CCOCC2)C |
| InChIKey | GUJOVYLFZDYKDF-UHFFFAOYSA-N |
Product Overview
2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate (CAS 522659-40-1), with molecular formula C13H18N4O2S2 and molecular weight 326.09 g/mol. IUPAC: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate.
Chemical Property Profile of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
Property Insights of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate has 1 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 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The CAS number of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is 522659-40-1.
What is the molecular formula of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The molecular formula of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is C13H18N4O2S2.
What is the molecular weight of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The molecular weight of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is 326.09 g/mol.
Where can I buy 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
You can request a quote for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.