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

C12H16N2O3 — CID 83897078

IUPAC4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7(2)9-5-11(15)14-6-8(12(16)17)3-4-10(14)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyMYDBBMVZVNBHDR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.01
Rot. Bonds2

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

4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 83897078) 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-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID83897078
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-7-carboxylic acid
SMILESCC(C)c1cc(=O)n2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7(2)9-5-11(15)14-6-8(12(16)17)3-4-10(14)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyMYDBBMVZVNBHDR-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 83897078) is 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid is CC(C)c1cc(=O)n2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is MYDBBMVZVNBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)9-5-11(15)14-6-8(12(16)17)3-4-10(14)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid?
4-oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.01, 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-7-carboxylic acid is sourced from PubChem (CID 83897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).