4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

C9H10N2O2 — CID 105437397

IUPAC4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2n(c1=O)CCCC2
InChIInChI=1S/C9H10N2O2/c12-6-7-5-10-8-3-1-2-4-11(8)9(7)13/h5-6H,1-4H2
InChIKeyAUJMUFPKAQCTFK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.39
Rot. Bonds1

About 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 105437397) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID105437397
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2n(c1=O)CCCC2
InChIInChI=1S/C9H10N2O2/c12-6-7-5-10-8-3-1-2-4-11(8)9(7)13/h5-6H,1-4H2
InChIKeyAUJMUFPKAQCTFK-UHFFFAOYSA-N
XLogP0.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 105437397) is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2n(c1=O)CCCC2.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is AUJMUFPKAQCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-6-7-5-10-8-3-1-2-4-11(8)9(7)13/h5-6H,1-4H2.
What are the key properties of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 105437397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).