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

C10H12N2O3 — CID 83883659

IUPAC6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCc2nc(C(=O)O)cc(=O)n21
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyRZSHNUSYXSAFRF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.84
Rot. Bonds1

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

6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83883659) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID83883659
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCc2nc(C(=O)O)cc(=O)n21
InChIInChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyRZSHNUSYXSAFRF-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

3-Hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 67318518
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
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 150907289
Methyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
CID 152176866
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylic acid
CID 152560099
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
CID 155167587
4-Methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 155191180
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
9-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883662
2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967075

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 83883659) is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is CC1CCCc2nc(C(=O)O)cc(=O)n21.
What is the InChIKey of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is RZSHNUSYXSAFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
6-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 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83883659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).