6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one
TL;DR: 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one (CAS 872629-70-4) is a chemical compound with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
Also Known As: F1895-0106, 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one, 6-amino-2-(methylthio)-1-[m-(trifluoromethyl)phenyl]-4(1H)-pyrimidinone, 6-amino-2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
| Molecular Formula | C12H10F3N3OS |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.5554 |
| Topological Polar Surface Area | 60.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04968 |
| Heavy Atoms | 20 |
| Complexity | 697.0774 |
Chemical Identifiers
| CAS Number | 872629-70-4 |
|---|---|
| SMILES | CSC1=NC(=O)C=C(N1C2=CC=CC(=C2)C(F)(F)F)N |
Product Overview
6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one (CAS 872629-70-4), with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol. IUPAC: 6-amino-2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
Chemical Property Profile of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one
Property Insights of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one
The XLogP value of 2.5554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one. The TPSA of 60.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 4 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-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one?
The CAS number of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one is 872629-70-4.
What is the molecular formula of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one?
The molecular formula of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one is C12H10F3N3OS.
What is the molecular weight of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one?
The molecular weight of 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one is 301.05 g/mol.
Where can I buy 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one?
You can request a quote for 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-(methylthio)-1-(3-(trifluoromethyl)phenyl)pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.