4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine

C10H11F3N2O2S — CID 17024548

IUPAC4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2S/c1-2-18(16,17)9-14-7(6-3-4-6)5-8(15-9)10(11,12)13/h5-6H,2-4H2,1H3
InChIKeyFIEUVTARHGRRPQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.17
Rot. Bonds3

About 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine

4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 17024548) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID17024548
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2S/c1-2-18(16,17)9-14-7(6-3-4-6)5-8(15-9)10(11,12)13/h5-6H,2-4H2,1H3
InChIKeyFIEUVTARHGRRPQ-UHFFFAOYSA-N
XLogP2.17
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 164623441
4-(3-Methyl-butyl)-2,6-bis-(2-methyl-propane-1-sulfonyl)-pyrimidine
CID 25128809
N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)propane-2-sulfonamide
CID 71797088
2-(Methylsulfanyl)-4-(propan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 12324830
4-Methyl-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine
CID 11149140
2-Difluoromethanesulfonyl-4,6-dimethylpyrimidine
CID 12276602
4-Cyclopropyl-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 172432296
4-Methyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfonyl]-6-(trifluoromethyl)pyrimidine
CID 172879236
2-(1,1-Difluoroethylsulfonyl)-4,6-dimethylpyrimidine
CID 177850004
2-(1,1-Difluoropropylsulfonyl)-4,6-dimethylpyrimidine
CID 177850008
2-[Cyclopentyl(difluoro)methyl]sulfonyl-4,6-dimethylpyrimidine
CID 177850012
4-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 87298675

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 17024548) is 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine is CCS(=O)(=O)c1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is FIEUVTARHGRRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-2-18(16,17)9-14-7(6-3-4-6)5-8(15-9)10(11,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 280.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 17024548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).