2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile (CAS 340807-53-6) is a chemical compound with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile, 2-amino-4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile, 2-amino-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile, 2-amino-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C16H16N4O3S2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 2.64458 |
| Topological Polar Surface Area | 111.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.06638 |
| Heavy Atoms | 25 |
| Complexity | 836.86005 |
Chemical Identifiers
| CAS Number | 340807-53-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N)OC |
Product Overview
2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile (CAS 340807-53-6), with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol. IUPAC: 2-amino-4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 2.64458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile. The TPSA of 111.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 9 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-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile is 340807-53-6.
What is the molecular formula of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile is C16H16N4O3S2.
What is the molecular weight of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile is 376.07 g/mol.
Where can I buy 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.