2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine

C16H11F3N4S — CID 18317248

IUPAC2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
SMILESCSc1nccc(-c2nccnc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11F3N4S/c1-24-15-22-6-5-12(23-15)14-13(20-7-8-21-14)10-3-2-4-11(9-10)16(17,18)19/h2-9H,1H3
InChIKeyZCSKTVMXDAIZRO-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.34
Rot. Bonds3

About 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine

2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine (PubChem CID 18317248) has the molecular formula C16H11F3N4S and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
PubChem CID18317248
Molecular FormulaC16H11F3N4S
Molecular Weight348.35 g/mol
Exact Mass348.07
IUPAC Name2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
SMILESCSc1nccc(-c2nccnc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11F3N4S/c1-24-15-22-6-5-12(23-15)14-13(20-7-8-21-14)10-3-2-4-11(9-10)16(17,18)19/h2-9H,1H3
InChIKeyZCSKTVMXDAIZRO-UHFFFAOYSA-N
XLogP4.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
CID 58824663
3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
CID 23000361
2-(4-methylpiperidin-1-yl)-5-(2-methylsulfanylpyrimidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15604008
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
CID 71628469
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143932945
2-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 46739890
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
benzyl 4-[5-(2-methylsulfanylpyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate
CID 70119450
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine (CID 18317248) is 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine is CSc1nccc(-c2nccnc2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine?
The InChIKey is ZCSKTVMXDAIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4S/c1-24-15-22-6-5-12(23-15)14-13(20-7-8-21-14)10-3-2-4-11(9-10)16(17,18)19/h2-9H,1H3.
What are the key properties of 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine?
2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine has a molecular weight of 348.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine is sourced from PubChem (CID 18317248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).