4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine

C11H9FN2O3S — CID 141073183

IUPAC4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O3S/c1-18(15,16)11-13-7-6-10(14-11)17-9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeySIQTWHZNVJXLCA-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.81
Rot. Bonds3

About 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine

4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine (PubChem CID 141073183) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
PubChem CID141073183
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O3S/c1-18(15,16)11-13-7-6-10(14-11)17-9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeySIQTWHZNVJXLCA-UHFFFAOYSA-N
XLogP1.81
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009
2-(4-fluorophenoxy)pyridin-4-amine
CID 1236667
4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
CID 56575603
(3S)-3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]-1-methylpyrrolidin-2-one
CID 95632441
4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine
CID 168867290
4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
CID 56575410
2-ethoxy-5-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 56575896
2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133384150

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine (CID 141073183) is 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine?
The InChIKey is SIQTWHZNVJXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-18(15,16)11-13-7-6-10(14-11)17-9-4-2-8(12)3-5-9/h2-7H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine?
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine has a molecular weight of 268.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 141073183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).