5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H9F3N4S — CID 21267750

IUPAC5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCSc1nc(-n2ccc(C(F)(F)F)n2)ncc1C
InChIInChI=1S/C10H9F3N4S/c1-6-5-14-9(15-8(6)18-2)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyUKOHXDIPFHXZLN-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.71
Rot. Bonds2

About 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 21267750) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID21267750
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCSc1nc(-n2ccc(C(F)(F)F)n2)ncc1C
InChIInChI=1S/C10H9F3N4S/c1-6-5-14-9(15-8(6)18-2)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyUKOHXDIPFHXZLN-UHFFFAOYSA-N
XLogP2.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 21267750) is 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is CSc1nc(-n2ccc(C(F)(F)F)n2)ncc1C.
What is the InChIKey of 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is UKOHXDIPFHXZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c1-6-5-14-9(15-8(6)18-2)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 274.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 21267750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).