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

C20H18N2O2S — CID 2198262

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
SMILESCc1cc(C)nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N2O2S/c1-14-12-15(2)22-20(21-14)25-13-19(23)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3
InChIKeyVBRBNEUSLRHSPY-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.86
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone (PubChem CID 2198262) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
PubChem CID2198262
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
SMILESCc1cc(C)nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N2O2S/c1-14-12-15(2)22-20(21-14)25-13-19(23)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3
InChIKeyVBRBNEUSLRHSPY-UHFFFAOYSA-N
XLogP4.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
CID 9457445
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methylphenyl)ethanone
CID 55058139
1-(4-bromophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
CID 2238750
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
CID 865548
2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetic acid
CID 22299989
4-amino-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylpyrimidine-5-carbonitrile
CID 38838066
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
CID 38834210
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 1153711
4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethoxy]benzoic acid
CID 62304780
2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetamide
CID 864753
1-(4-bromophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1254138

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone (CID 2198262) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone is Cc1cc(C)nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone?
The InChIKey is VBRBNEUSLRHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-12-15(2)22-20(21-14)25-13-19(23)16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone has a molecular weight of 350.44 g/mol, XLogP of 4.86, 6 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-phenoxyphenyl)ethanone is sourced from PubChem (CID 2198262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).