6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C10H8N2O3 — CID 115023262

IUPAC6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cccc2nc(C(=O)O)cc(=O)n12
InChIInChI=1S/C10H8N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h2-5H,1H3,(H,14,15)
InChIKeyHPKHZRCMUQLXNZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.70
Rot. Bonds1

About 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115023262) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115023262
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cccc2nc(C(=O)O)cc(=O)n12
InChIInChI=1S/C10H8N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h2-5H,1H3,(H,14,15)
InChIKeyHPKHZRCMUQLXNZ-UHFFFAOYSA-N
XLogP0.70
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115050074
2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027086
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027218
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
13-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
CID 84818466
2-(3-chlorophenyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 10540006
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9253765
6-methylpyrido[1,2-a]pyrimidin-4-one
CID 529103
1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 134956703
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115023262) is 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is Cc1cccc2nc(C(=O)O)cc(=O)n12.
What is the InChIKey of 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is HPKHZRCMUQLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-3-2-4-8-11-7(10(14)15)5-9(13)12(6)8/h2-5H,1H3,(H,14,15).
What are the key properties of 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115023262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).