4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid

C9H10N2O3 — CID 83878710

IUPAC4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCCc2nccc(=O)n21
InChIInChI=1S/C9H10N2O3/c12-8-4-5-10-7-3-1-2-6(9(13)14)11(7)8/h4-6H,1-3H2,(H,13,14)
InChIKeyMIABRAIQOAOGFI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.21
Rot. Bonds1

About 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid

4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83878710) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83878710
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCCc2nccc(=O)n21
InChIInChI=1S/C9H10N2O3/c12-8-4-5-10-7-3-1-2-6(9(13)14)11(7)8/h4-6H,1-3H2,(H,13,14)
InChIKeyMIABRAIQOAOGFI-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 43441125
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83883664
2-Ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83890526
1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]piperidine-2-carboxylic acid
CID 119137785
(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
CID 120283880
(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
CID 124702413
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (CID 83878710) is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)C1CCCc2nccc(=O)n21.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is MIABRAIQOAOGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-4-5-10-7-3-1-2-6(9(13)14)11(7)8/h4-6H,1-3H2,(H,13,14).
What are the key properties of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83878710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).