4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine

C12H11FN2O3S — CID 141105687

IUPAC4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine
SMILESCc1cncnc1Oc1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C12H11FN2O3S/c1-8-6-14-7-15-12(8)18-11-4-3-9(5-10(11)13)19(2,16)17/h3-7H,1-2H3
InChIKeyWOBDGVGCUXOCAP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.12
Rot. Bonds3

About 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine

4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine (PubChem CID 141105687) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine
PubChem CID141105687
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine
SMILESCc1cncnc1Oc1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C12H11FN2O3S/c1-8-6-14-7-15-12(8)18-11-4-3-9(5-10(11)13)19(2,16)17/h3-7H,1-2H3
InChIKeyWOBDGVGCUXOCAP-UHFFFAOYSA-N
XLogP2.12
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-fluoro-4-(5-methylpyrimidin-4-yl)oxyaniline
CID 171509261
[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite
CID 70844205
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(4-methylpentyl)piperidin-4-yl]oxypyrimidine
CID 59856699
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]pentanal
CID 87384042
1-(4-chloro-3-methylphenyl)-2-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 59856709
2-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-1-morpholin-4-ylethanone
CID 59856842
(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 46836063
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
1-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90832316
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59856806

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine?
The IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine (CID 141105687) is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine is Cc1cncnc1Oc1ccc(S(C)(=O)=O)cc1F.
What is the InChIKey of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine?
The InChIKey is WOBDGVGCUXOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-8-6-14-7-15-12(8)18-11-4-3-9(5-10(11)13)19(2,16)17/h3-7H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine?
4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine has a molecular weight of 282.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 141105687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).