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

C10H12N2O3 — CID 83883664

IUPAC2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESCc1cc(=O)n2c(n1)CCCC2C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-5-9(13)12-7(10(14)15)3-2-4-8(12)11-6/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyASGFNTYABXTQMH-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.51
Rot. Bonds1

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

2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83883664) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83883664
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESCc1cc(=O)n2c(n1)CCCC2C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-5-9(13)12-7(10(14)15)3-2-4-8(12)11-6/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyASGFNTYABXTQMH-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Related Compounds

1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 43441125
6-(2,4-Dimethyl-6-oxopyrimidin-1-yl)hexanoic acid
CID 64298835
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83878710
2-Ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83890526
2-Cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83896039
4-Oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83897077
1-[(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid;hydrochloride
CID 120320539
1-[(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 120320540
1-[(7-Chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 120320805
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (CID 83883664) is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is Cc1cc(=O)n2c(n1)CCCC2C(=O)O.
What is the InChIKey of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is ASGFNTYABXTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-5-9(13)12-7(10(14)15)3-2-4-8(12)11-6/h5,7H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83883664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).