methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate

C12H12N2O2S — CID 116895161

IUPACmethyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(C)cc(-c2cccs2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-6-9(10-4-3-5-17-10)14-11(13-8)7-12(15)16-2/h3-6H,7H2,1-2H3
InChIKeySJAOMEBTAYQRTG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.23
Rot. Bonds3

About methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate

methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate (PubChem CID 116895161) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
PubChem CID116895161
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(C)cc(-c2cccs2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-6-9(10-4-3-5-17-10)14-11(13-8)7-12(15)16-2/h3-6H,7H2,1-2H3
InChIKeySJAOMEBTAYQRTG-UHFFFAOYSA-N
XLogP2.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-2-one
CID 116895472
methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
CID 116895174
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
CID 61334161
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid
CID 82192387
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dithiophen-2-ylthiophen-3-yl]acetate
CID 15422593
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
CID 3804988
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930
methyl 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate
CID 134201947
ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
CID 87562816

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate (CID 116895161) is methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate is COC(=O)Cc1nc(C)cc(-c2cccs2)n1.
What is the InChIKey of methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate?
The InChIKey is SJAOMEBTAYQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-6-9(10-4-3-5-17-10)14-11(13-8)7-12(15)16-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate?
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate has a molecular weight of 248.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate is sourced from PubChem (CID 116895161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).