2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone

C15H15FN2OS — CID 849788

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C)nc(SCC(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C15H15FN2OS/c1-9-6-12(4-5-13(9)16)14(19)8-20-15-17-10(2)7-11(3)18-15/h4-7H,8H2,1-3H3
InChIKeySEMGUGTWABODRN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.52
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 849788) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID849788
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C)nc(SCC(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C15H15FN2OS/c1-9-6-12(4-5-13(9)16)14(19)8-20-15-17-10(2)7-11(3)18-15/h4-7H,8H2,1-3H3
InChIKeySEMGUGTWABODRN-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-Difluoro-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 694586
4-{[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide
CID 56932122
1-(3,4-Dimethyl-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 784992
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-1-phenylethanone
CID 829545
2-[6-Methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-acetamide
CID 652313
2-(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 653296
2-(4-Methyl-6-pyrrolidin-1-yl-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone
CID 865548
3-{[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl}benzoic acid
CID 893891
2-{[4-Methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}-1-(3-nitrophenyl)ethanone
CID 1266660
2-[6-Methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-1-p-tolyl-ethanone
CID 1374630
4-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 2473957

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone (CID 849788) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C)nc(SCC(=O)c2ccc(F)c(C)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is SEMGUGTWABODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-9-6-12(4-5-13(9)16)14(19)8-20-15-17-10(2)7-11(3)18-15/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).