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

C12H16N2O3 — CID 83897080

IUPAC4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O3/c1-7(2)9-6-10(15)14-5-3-4-8(12(16)17)11(14)13-9/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyBKZBSMOBSROFAZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.33
Rot. Bonds2

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

4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (PubChem CID 83897080) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
PubChem CID83897080
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O3/c1-7(2)9-6-10(15)14-5-3-4-8(12(16)17)11(14)13-9/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyBKZBSMOBSROFAZ-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-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 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The IUPAC name of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (CID 83897080) is 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.
What is the SMILES notation for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The canonical SMILES for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is CC(C)c1cc(=O)n2c(n1)C(C(=O)O)CCC2.
What is the InChIKey of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The InChIKey is BKZBSMOBSROFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)9-6-10(15)14-5-3-4-8(12(16)17)11(14)13-9/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is sourced from PubChem (CID 83897080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).