2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C15H17N3O3 — CID 2918628

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC1CN(c2nc3ccccn3c(=O)c2C=O)CC(C)O1
InChIInChI=1S/C15H17N3O3/c1-10-7-17(8-11(2)21-10)14-12(9-19)15(20)18-6-4-3-5-13(18)16-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAKQKJDUVFYNXTA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.12
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2918628) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2918628
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC1CN(c2nc3ccccn3c(=O)c2C=O)CC(C)O1
InChIInChI=1S/C15H17N3O3/c1-10-7-17(8-11(2)21-10)14-12(9-19)15(20)18-6-4-3-5-13(18)16-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAKQKJDUVFYNXTA-UHFFFAOYSA-N
XLogP1.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2918628) is 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is CC1CN(c2nc3ccccn3c(=O)c2C=O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is AKQKJDUVFYNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-17(8-11(2)21-10)14-12(9-19)15(20)18-6-4-3-5-13(18)16-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 287.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2918628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).