1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone

C15H16N2O2S — CID 50898939

IUPAC1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
SMILESCOc1cc(C)cc(C(=O)Cc2ccnc(SC)n2)c1
InChIInChI=1S/C15H16N2O2S/c1-10-6-11(8-13(7-10)19-2)14(18)9-12-4-5-16-15(17-12)20-3/h4-8H,9H2,1-3H3
InChIKeyXRNGKMFOMOCRFV-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone

1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone (PubChem CID 50898939) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
PubChem CID50898939
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
SMILESCOc1cc(C)cc(C(=O)Cc2ccnc(SC)n2)c1
InChIInChI=1S/C15H16N2O2S/c1-10-6-11(8-13(7-10)19-2)14(18)9-12-4-5-16-15(17-12)20-3/h4-8H,9H2,1-3H3
InChIKeyXRNGKMFOMOCRFV-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)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-(3-chloro-5-methoxyphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
CID 68836656
2-(2-methylsulfanylpyrimidin-4-yl)-1-(3-prop-2-enoxyphenyl)ethanone
CID 22321944
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
3,3-dimethyl-1-(2-methylsulfanylpyrimidin-4-yl)butan-2-one
CID 119084151
2-[2-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-1-(3-methoxy-5-methylphenyl)ethanone
CID 142725419
2-[2-chloro-6-(propylamino)pyrimidin-4-yl]-1-(3-methoxy-5-methylphenyl)ethanone
CID 88947858
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-cyclopentyl-3-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 126559947
4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 50899517
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone (CID 50898939) is 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone is COc1cc(C)cc(C(=O)Cc2ccnc(SC)n2)c1.
What is the InChIKey of 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone?
The InChIKey is XRNGKMFOMOCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-6-11(8-13(7-10)19-2)14(18)9-12-4-5-16-15(17-12)20-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone?
1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone has a molecular weight of 288.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 50898939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).