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

C9H12F2N2O3S — CID 114205167

IUPAC[4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol
SMILESCC(c1ncc(CO)c(C(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C9H12F2N2O3S/c1-5(17(2,15)16)9-12-3-6(4-14)7(13-9)8(10)11/h3,5,8,14H,4H2,1-2H3
InChIKeyOGVMLEUFVGFOHG-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.01
Rot. Bonds4

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

[4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol (PubChem CID 114205167) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol
PubChem CID114205167
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC Name[4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol
SMILESCC(c1ncc(CO)c(C(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C9H12F2N2O3S/c1-5(17(2,15)16)9-12-3-6(4-14)7(13-9)8(10)11/h3,5,8,14H,4H2,1-2H3
InChIKeyOGVMLEUFVGFOHG-UHFFFAOYSA-N
XLogP1.01
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol (CID 114205167) is [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol is CC(c1ncc(CO)c(C(F)F)n1)S(C)(=O)=O.
What is the InChIKey of [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol?
The InChIKey is OGVMLEUFVGFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-5(17(2,15)16)9-12-3-6(4-14)7(13-9)8(10)11/h3,5,8,14H,4H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol has a molecular weight of 266.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(1-methylsulfonylethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).