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

C12H14N2O3 — CID 83896039

IUPAC2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CC3)cc(=O)n21
InChIInChI=1S/C12H14N2O3/c15-11-6-8(7-4-5-7)13-10-3-1-2-9(12(16)17)14(10)11/h6-7,9H,1-5H2,(H,16,17)
InChIKeyQYNYUMRMJYRMLM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.08
Rot. Bonds2

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

2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83896039) 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-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83896039
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CC3)cc(=O)n21
InChIInChI=1S/C12H14N2O3/c15-11-6-8(7-4-5-7)13-10-3-1-2-9(12(16)17)14(10)11/h6-7,9H,1-5H2,(H,16,17)
InChIKeyQYNYUMRMJYRMLM-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83883664
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-8-carboxylic acid
CID 83896041
4-Oxo-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83897077

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid (CID 83896039) is 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)C1CCCc2nc(C3CC3)cc(=O)n21.
What is the InChIKey of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is QYNYUMRMJYRMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-6-8(7-4-5-7)13-10-3-1-2-9(12(16)17)14(10)11/h6-7,9H,1-5H2,(H,16,17).
What are the key properties of 2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid?
2-cyclopropyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.08, 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-6-carboxylic acid is sourced from PubChem (CID 83896039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).