2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone

C15H16N2O2S — CID 694596

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-8-11(2)17-15(16-10)20-9-14(18)12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyUZKCWMIGVQICOC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.08
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone (PubChem CID 694596) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
PubChem CID694596
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H16N2O2S/c1-10-8-11(2)17-15(16-10)20-9-14(18)12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyUZKCWMIGVQICOC-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Silica aerogel
CID 1151680
1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
Methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
CID 705813
1-(3,4-Dimethoxyphenyl)-2-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)ethanone
CID 1251489
1-(3,4-Dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone
CID 715454
1-[3-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 701556
2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-1-(4-methoxy-3-nitrophenyl)ethanone
CID 772004
1-(2,4-Dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 784994
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 975401
2-[4-Methyl-6-(naphthalen-2-yloxy)-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone
CID 1207077
3-[[[4-(4-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid
CID 1252042
2-Amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 1889728

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone (CID 694596) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
The InChIKey is UZKCWMIGVQICOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-8-11(2)17-15(16-10)20-9-14(18)12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone has a molecular weight of 288.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 694596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).