4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C11H12N2O4S — CID 9106586

IUPAC4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyWEWPTOYLCJSCJK-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.85
Rot. Bonds4

About 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 9106586) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID9106586
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyWEWPTOYLCJSCJK-UHFFFAOYSA-N
XLogP1.85
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 9106586) is 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is COCc1nc(OC)c2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is WEWPTOYLCJSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 9106586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).