1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one

C9H12N2O2S — CID 107508326

IUPAC1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
SMILESCOCC(=O)CSc1nccc(C)n1
InChIInChI=1S/C9H12N2O2S/c1-7-3-4-10-9(11-7)14-6-8(12)5-13-2/h3-4H,5-6H2,1-2H3
InChIKeyDATPRNRMBMYUFL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.09
Rot. Bonds5

About 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one

1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one (PubChem CID 107508326) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
PubChem CID107508326
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
SMILESCOCC(=O)CSc1nccc(C)n1
InChIInChI=1S/C9H12N2O2S/c1-7-3-4-10-9(11-7)14-6-8(12)5-13-2/h3-4H,5-6H2,1-2H3
InChIKeyDATPRNRMBMYUFL-UHFFFAOYSA-N
XLogP1.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 60722815
1-methoxy-3-pyridin-4-ylsulfanylpropan-2-one
CID 107508360
methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 901165
1-(3-chloro-4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 62267156
2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62269830
methyl 2-[1-[(4-methylpyrimidin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777017
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1129341
potassium trifluoro-[3-(4-methylpyrimidin-2-yl)sulfanylprop-1-en-2-yl]boranuide
CID 106747007
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
ethyl 2-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylacetate
CID 79357158

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The IUPAC name of 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one (CID 107508326) is 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one is COCC(=O)CSc1nccc(C)n1.
What is the InChIKey of 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The InChIKey is DATPRNRMBMYUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7-3-4-10-9(11-7)14-6-8(12)5-13-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one has a molecular weight of 212.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one is sourced from PubChem (CID 107508326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).