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

C8H7N3O3 — CID 176739480

IUPAC1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCn1ccn2c(=O)cc(C(=O)O)nc12
InChIInChI=1S/C8H7N3O3/c1-10-2-3-11-6(12)4-5(7(13)14)9-8(10)11/h2-4H,1H3,(H,13,14)
InChIKeyORNADEQLMHKNHE-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.27
Rot. Bonds1

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

1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 176739480) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID176739480
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCn1ccn2c(=O)cc(C(=O)O)nc12
InChIInChI=1S/C8H7N3O3/c1-10-2-3-11-6(12)4-5(7(13)14)9-8(10)11/h2-4H,1H3,(H,13,14)
InChIKeyORNADEQLMHKNHE-UHFFFAOYSA-N
XLogP-0.27
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023809
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
CID 126796383
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
CID 130656006
2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271418
5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167942127
6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115050074
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 176739480) is 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid is Cn1ccn2c(=O)cc(C(=O)O)nc12.
What is the InChIKey of 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is ORNADEQLMHKNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-10-2-3-11-6(12)4-5(7(13)14)9-8(10)11/h2-4H,1H3,(H,13,14).
What are the key properties of 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid?
1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 176739480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).