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

C8H9F3N2O2S — CID 67212781

IUPAC5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)(=O)=O
InChIInChI=1S/C8H9F3N2O2S/c1-5(16(2,14)15)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyNSDJRQUQOVNEGM-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.60
Rot. Bonds2

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

5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 67212781) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
PubChem CID67212781
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)(=O)=O
InChIInChI=1S/C8H9F3N2O2S/c1-5(16(2,14)15)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyNSDJRQUQOVNEGM-UHFFFAOYSA-N
XLogP1.60
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
5-ethyl-N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72854326
US20240400579, Example 215A
CID 168907409
US20240400579, Example 145A
CID 168907450
US20240400579, Example 215B
CID 168907466
US20240400579, Example 145B
CID 168907494
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
CID 97210741
2-Ethylsulfonyl-5-trifluoromethylpyrimidine
CID 13317023
2,4-Difluoro-5-(2-sulfonylethyl)pyrimidine
CID 20478898
2-(2,4-Difluoropyrimidin-5-yl)ethanesulfinate
CID 57110814
2-Methyl-5-(3,3,3-trifluoropropylsulfanylmethyl)pyrimidine
CID 58279849

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine (CID 67212781) is 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine is CC(c1cnc(C(F)(F)F)nc1)S(C)(=O)=O.
What is the InChIKey of 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NSDJRQUQOVNEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5(16(2,14)15)6-3-12-7(13-4-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine?
5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 254.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 67212781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).