5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

C8H7N3O3 — CID 84664482

IUPAC5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2nccn12
InChIInChI=1S/C8H7N3O3/c1-14-6-4-5(7(12)13)10-8-9-2-3-11(6)8/h2-4H,1H3,(H,12,13)
InChIKeyXFHKYCOASCANOC-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.44
Rot. Bonds2

About 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 84664482) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID84664482
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2nccn12
InChIInChI=1S/C8H7N3O3/c1-14-6-4-5(7(12)13)10-8-9-2-3-11(6)8/h2-4H,1H3,(H,12,13)
InChIKeyXFHKYCOASCANOC-UHFFFAOYSA-N
XLogP0.44
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 84664482) is 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is COc1cc(C(=O)O)nc2nccn12.
What is the InChIKey of 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is XFHKYCOASCANOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-6-4-5(7(12)13)10-8-9-2-3-11(6)8/h2-4H,1H3,(H,12,13).
What are the key properties of 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 84664482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).