(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate

C11H10N2O3S — CID 10467276

IUPAC(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate
SMILESCOc1nc(C)cc(OC(=O)c2cccs2)n1
InChIInChI=1S/C11H10N2O3S/c1-7-6-9(13-11(12-7)15-2)16-10(14)8-4-3-5-17-8/h3-6H,1-2H3
InChIKeyIVYOUXANLZKOGK-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.07
Rot. Bonds3

About (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate

(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate (PubChem CID 10467276) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate
PubChem CID10467276
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate
SMILESCOc1nc(C)cc(OC(=O)c2cccs2)n1
InChIInChI=1S/C11H10N2O3S/c1-7-6-9(13-11(12-7)15-2)16-10(14)8-4-3-5-17-8/h3-6H,1-2H3
InChIKeyIVYOUXANLZKOGK-UHFFFAOYSA-N
XLogP2.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate?
The IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate (CID 10467276) is (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate.
What is the SMILES notation for (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate?
The canonical SMILES for (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate is COc1nc(C)cc(OC(=O)c2cccs2)n1.
What is the InChIKey of (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate?
The InChIKey is IVYOUXANLZKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7-6-9(13-11(12-7)15-2)16-10(14)8-4-3-5-17-8/h3-6H,1-2H3.
What are the key properties of (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate?
(2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylpyrimidin-4-yl) thiophene-2-carboxylate is sourced from PubChem (CID 10467276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).