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

C12H14N2O3 — CID 83896041

IUPAC2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)C1CCn2c(nc(C3CC3)cc2=O)C1
InChIInChI=1S/C12H14N2O3/c15-11-6-9(7-1-2-7)13-10-5-8(12(16)17)3-4-14(10)11/h6-8H,1-5H2,(H,16,17)
InChIKeyZLWOIPJIXJUHMI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.77
Rot. Bonds2

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

2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (PubChem CID 83896041) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
PubChem CID83896041
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)C1CCn2c(nc(C3CC3)cc2=O)C1
InChIInChI=1S/C12H14N2O3/c15-11-6-9(7-1-2-7)13-10-5-8(12(16)17)3-4-14(10)11/h6-8H,1-5H2,(H,16,17)
InChIKeyZLWOIPJIXJUHMI-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (CID 83896041) is 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is O=C(O)C1CCn2c(nc(C3CC3)cc2=O)C1.
What is the InChIKey of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The InChIKey is ZLWOIPJIXJUHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-6-9(7-1-2-7)13-10-5-8(12(16)17)3-4-14(10)11/h6-8H,1-5H2,(H,16,17).
What are the key properties of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 83896041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).