[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C9H11F3N2O3S — CID 114204985

IUPAC[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCC(c1ncc(CO)c(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C9H11F3N2O3S/c1-5(18(2,16)17)8-13-3-6(4-15)7(14-8)9(10,11)12/h3,5,15H,4H2,1-2H3
InChIKeyHEWRWQLGZGVMGO-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.09
Rot. Bonds3

About [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204985) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204985
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCC(c1ncc(CO)c(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C9H11F3N2O3S/c1-5(18(2,16)17)8-13-3-6(4-15)7(14-8)9(10,11)12/h3,5,15H,4H2,1-2H3
InChIKeyHEWRWQLGZGVMGO-UHFFFAOYSA-N
XLogP1.09
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204985) is [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is CC(c1ncc(CO)c(C(F)(F)F)n1)S(C)(=O)=O.
What is the InChIKey of [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is HEWRWQLGZGVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-5(18(2,16)17)8-13-3-6(4-15)7(14-8)9(10,11)12/h3,5,15H,4H2,1-2H3.
What are the key properties of [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 284.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).