5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid

C10H11N3O3 — CID 83889868

IUPAC5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1c[nH]c2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C10H11N3O3/c1-5(2)7-4-12-10-11-3-6(9(15)16)8(14)13(7)10/h3-5H,1-2H3,(H,11,12)(H,15,16)
InChIKeyXXOCXYJDDNYSDV-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.84
Rot. Bonds2

About 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid

5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83889868) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83889868
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1c[nH]c2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C10H11N3O3/c1-5(2)7-4-12-10-11-3-6(9(15)16)8(14)13(7)10/h3-5H,1-2H3,(H,11,12)(H,15,16)
InChIKeyXXOCXYJDDNYSDV-UHFFFAOYSA-N
XLogP0.84
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 83889868) is 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid is CC(C)c1c[nH]c2ncc(C(=O)O)c(=O)n12.
What is the InChIKey of 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is XXOCXYJDDNYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(2)7-4-12-10-11-3-6(9(15)16)8(14)13(7)10/h3-5H,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid?
5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-propan-2-yl-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83889868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).