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

C10H12N2O3 — CID 83883662

IUPAC9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCn2c1nc(C(=O)O)cc2=O
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-12-8(13)5-7(10(14)15)11-9(6)12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyACQRYBIPTKFYMC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.84
Rot. Bonds1

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

9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83883662) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID83883662
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCn2c1nc(C(=O)O)cc2=O
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-12-8(13)5-7(10(14)15)11-9(6)12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyACQRYBIPTKFYMC-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83878709
9-Bromo-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 150656508
Methyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
CID 152176866
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
CID 155167587
2-Cyclopropyl-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 165410561
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883659
7-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883660
8-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883661
2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967075
2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967076

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 83883662) is 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is CC1CCCn2c1nc(C(=O)O)cc2=O.
What is the InChIKey of 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is ACQRYBIPTKFYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-2-4-12-8(13)5-7(10(14)15)11-9(6)12/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83883662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).