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

C10H12N2O4 — CID 67318518

IUPAC3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCc2nc(C(=O)O)c(O)c(=O)n21
InChIInChI=1S/C10H12N2O4/c1-5-3-2-4-6-11-7(10(15)16)8(13)9(14)12(5)6/h5,13H,2-4H2,1H3,(H,15,16)
InChIKeyCICIMIOYYJLMKN-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.54
Rot. Bonds1

About 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 67318518) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID67318518
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCCc2nc(C(=O)O)c(O)c(=O)n21
InChIInChI=1S/C10H12N2O4/c1-5-3-2-4-6-11-7(10(15)16)8(13)9(14)12(5)6/h5,13H,2-4H2,1H3,(H,15,16)
InChIKeyCICIMIOYYJLMKN-UHFFFAOYSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 67318518) is 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is CC1CCCc2nc(C(=O)O)c(O)c(=O)n21.
What is the InChIKey of 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is CICIMIOYYJLMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-3-2-4-6-11-7(10(15)16)8(13)9(14)12(5)6/h5,13H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 67318518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).