1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

C14H14N2O2S — CID 60778727

IUPAC1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1ncc(C)cn1
InChIInChI=1S/C14H14N2O2S/c1-10-7-15-14(16-8-10)19-9-12(17)11-5-3-4-6-13(11)18-2/h3-8H,9H2,1-2H3
InChIKeyPNTJNHBNNLDLGI-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (PubChem CID 60778727) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
PubChem CID60778727
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1ncc(C)cn1
InChIInChI=1S/C14H14N2O2S/c1-10-7-15-14(16-8-10)19-9-12(17)11-5-3-4-6-13(11)18-2/h3-8H,9H2,1-2H3
InChIKeyPNTJNHBNNLDLGI-UHFFFAOYSA-N
XLogP2.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971964
1-(2-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078961
1-(2-methoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 936077
1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
CID 157218048
1-(2-methoxyphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16538072
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
CID 43802368
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
1-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2340789
1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43802511
4-ethyl-3-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 60626338

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (CID 60778727) is 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is COc1ccccc1C(=O)CSc1ncc(C)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is PNTJNHBNNLDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-7-15-14(16-8-10)19-9-12(17)11-5-3-4-6-13(11)18-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 274.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 60778727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).