methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate

C12H12N2O3S — CID 2761115

IUPACmethyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C12H12N2O3S/c1-7-6-8(2)14-12(13-7)17-9-4-5-18-10(9)11(15)16-3/h4-6H,1-3H3
InChIKeyMHHKVAGSLTUQJJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.73
Rot. Bonds3

About methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate

methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate (PubChem CID 2761115) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate
PubChem CID2761115
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namemethyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C12H12N2O3S/c1-7-6-8(2)14-12(13-7)17-9-4-5-18-10(9)11(15)16-3/h4-6H,1-3H3
InChIKeyMHHKVAGSLTUQJJ-UHFFFAOYSA-N
XLogP2.73
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate?
The IUPAC name of methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate (CID 2761115) is methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate is COC(=O)c1sccc1Oc1nc(C)cc(C)n1.
What is the InChIKey of methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate?
The InChIKey is MHHKVAGSLTUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7-6-8(2)14-12(13-7)17-9-4-5-18-10(9)11(15)16-3/h4-6H,1-3H3.
What are the key properties of methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate?
methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethylpyrimidin-2-yl)oxythiophene-2-carboxylate is sourced from PubChem (CID 2761115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).