2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C10H8N2O3 — CID 14319831

IUPAC2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2ccccn2c(=O)c1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-8(10(14)15)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3,(H,14,15)
InChIKeyYZENLHLLEJMNIX-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 14319831) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID14319831
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2ccccn2c(=O)c1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-8(10(14)15)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3,(H,14,15)
InChIKeyYZENLHLLEJMNIX-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 14319831) is 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1nc2ccccn2c(=O)c1C(=O)O.
What is the InChIKey of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is YZENLHLLEJMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-8(10(14)15)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3,(H,14,15).
What are the key properties of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-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 2-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 14319831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).