5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid

C7H5N3O3 — CID 82409794

IUPAC5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)ccnc2[nH]1
InChIInChI=1S/C7H5N3O3/c11-5-1-2-8-7-9-4(6(12)13)3-10(5)7/h1-3H,(H,8,9)(H,12,13)
InChIKeyIEPQRQUPVNLHSQ-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.28
Rot. Bonds1

About 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid

5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 82409794) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID82409794
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)ccnc2[nH]1
InChIInChI=1S/C7H5N3O3/c11-5-1-2-8-7-9-4(6(12)13)3-10(5)7/h1-3H,(H,8,9)(H,12,13)
InChIKeyIEPQRQUPVNLHSQ-UHFFFAOYSA-N
XLogP-0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-oxo-1H-imidazo[1,2-c]pyrimidine-2-carboxylic acid;hydrobromide
CID 71224609
1-Methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 176739480
7-oxo-1H-imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 71224610
2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 119095132

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 82409794) is 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(=O)ccnc2[nH]1.
What is the InChIKey of 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is IEPQRQUPVNLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-5-1-2-8-7-9-4(6(12)13)3-10(5)7/h1-3H,(H,8,9)(H,12,13).
What are the key properties of 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1H-imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82409794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).