5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine

C8H9F3N2OS — CID 70904995

IUPAC5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)=O
InChIInChI=1S/C8H9F3N2OS/c1-5(15(2)14)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyDKBFPMMPKZMBLE-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.93
Rot. Bonds2

About 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine

5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 70904995) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine
PubChem CID70904995
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)=O
InChIInChI=1S/C8H9F3N2OS/c1-5(15(2)14)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyDKBFPMMPKZMBLE-UHFFFAOYSA-N
XLogP1.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine (CID 70904995) is 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine is CC(c1cnc(C(F)(F)F)nc1)S(C)=O.
What is the InChIKey of 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is DKBFPMMPKZMBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5(15(2)14)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine?
5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 238.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 70904995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).