1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid

C11H8N4O2S — CID 63617898

IUPAC1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1cc2c(-n3cnc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C11H8N4O2S/c1-6-2-7-9(12-4-13-10(7)18-6)15-3-8(11(16)17)14-5-15/h2-5H,1H3,(H,16,17)
InChIKeyOTNMCKYLBMKNKZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.88
Rot. Bonds2

About 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 63617898) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID63617898
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1cc2c(-n3cnc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C11H8N4O2S/c1-6-2-7-9(12-4-13-10(7)18-6)15-3-8(11(16)17)14-5-15/h2-5H,1H3,(H,16,17)
InChIKeyOTNMCKYLBMKNKZ-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid (CID 63617898) is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid is Cc1cc2c(-n3cnc(C(=O)O)c3)ncnc2s1.
What is the InChIKey of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is OTNMCKYLBMKNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c1-6-2-7-9(12-4-13-10(7)18-6)15-3-8(11(16)17)14-5-15/h2-5H,1H3,(H,16,17).
What are the key properties of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 260.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 63617898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).