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

C10H12N2O3 — CID 83883666

IUPAC2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(=O)n2c(n1)CC(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-6-4-9(13)12-3-2-7(10(14)15)5-8(12)11-6/h4,7H,2-3,5H2,1H3,(H,14,15)
InChIKeyQWQIRJKPSRVGAU-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.20
Rot. Bonds1

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

2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (PubChem CID 83883666) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
PubChem CID83883666
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESCc1cc(=O)n2c(n1)CC(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-6-4-9(13)12-3-2-7(10(14)15)5-8(12)11-6/h4,7H,2-3,5H2,1H3,(H,14,15)
InChIKeyQWQIRJKPSRVGAU-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (CID 83883666) is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is Cc1cc(=O)n2c(n1)CC(C(=O)O)CC2.
What is the InChIKey of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The InChIKey is QWQIRJKPSRVGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-9(13)12-3-2-7(10(14)15)5-8(12)11-6/h4,7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 83883666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).