6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
TL;DR: 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine (CAS 16097-50-0) is a chemical compound with molecular formula C6H6F3N3S and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
Also Known As: Pyrimidine, 4-amino-6-(methylthio)-2-(trifluoromethyl)-, 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine, 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine, 6-(Methylthio)-2-(trifluoromethyl)pyrimidin-4-amine, 6-(methylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
| Molecular Formula | C6H6F3N3S |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02345 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 16097-50-0 |
|---|---|
| SMILES | CSC1=NC(=NC(=C1)N)C(F)(F)F |
| InChIKey | POOOPUXEGBEVHY-UHFFFAOYSA-N |
Product Overview
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine (CAS 16097-50-0), with molecular formula C6H6F3N3S and molecular weight 209.02 g/mol. IUPAC: 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
Chemical Property Profile of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
Property Insights of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine. Following Lipinski's Rule of Five, 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine has 1 hydrogen bond donor(s) and 7 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 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine?
The CAS number of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine is 16097-50-0.
What is the molecular formula of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine?
The molecular formula of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine is C6H6F3N3S.
What is the molecular weight of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine?
The molecular weight of 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine is 209.02 g/mol.
Where can I buy 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine?
You can request a quote for 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.