Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-
TL;DR: Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- (CAS 493030-72-1) is a chemical compound with molecular formula C11H10F3N3OS and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(1-methylpyrrol-2-yl)sulfanyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
Also Known As: A2930/0123325, 2-methyl-6-(1-methylpyrrol-2-ylthio)-5-(trifluoromethyl)pyrimidin-4-ol, 2-methyl-4-(1-methylpyrrol-2-yl)sulfanyl-5-(trifluoromethyl)-1H-pyrimidin-6-one, 2-methyl-6-((1-methyl-1H-pyrrol-2-yl)thio)-5-(trifluoromethyl)pyrimidin-4-ol, 2-methyl-6-[(1-methyl-1H-pyrrol-2-yl)sulfanyl]-5-(trifluoromethyl)pyrimidin-4-ol
| Molecular Formula | C11H10F3N3OS |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.04968 |
| Heavy Atoms | 19 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 493030-72-1 |
|---|---|
| SMILES | CC1=NC(=C(C(=O)N1)C(F)(F)F)SC2=CC=CN2C |
| InChIKey | LFFKHNZTXSGJLX-UHFFFAOYSA-N |
Product Overview
Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- (CAS 493030-72-1), with molecular formula C11H10F3N3OS and molecular weight 289.05 g/mol. IUPAC: 2-methyl-4-(1-methylpyrrol-2-yl)sulfanyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.
Chemical Property Profile of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-
Property Insights of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-. Following Lipinski's Rule of Five, Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- 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 Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-?
The CAS number of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- is 493030-72-1.
What is the molecular formula of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-?
The molecular formula of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- is C11H10F3N3OS.
What is the molecular weight of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-?
The molecular weight of Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- is 289.05 g/mol.
Where can I buy Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-?
You can request a quote for Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidin-4-ol, 2-methyl-6-(1-methyl-1H-pyrrol-2-ylsulfanyl)-5-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.