2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C13H13N3O3 — CID 702108

IUPAC2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCOCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H13N3O3/c17-9-10-12(15-5-7-19-8-6-15)14-11-3-1-2-4-16(11)13(10)18/h1-4,9H,5-8H2
InChIKeyNWYVTRPHYSYEFE-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.34
Rot. Bonds2

About 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 702108) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID702108
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCOCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H13N3O3/c17-9-10-12(15-5-7-19-8-6-15)14-11-3-1-2-4-16(11)13(10)18/h1-4,9H,5-8H2
InChIKeyNWYVTRPHYSYEFE-UHFFFAOYSA-N
XLogP0.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.34
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-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 702108) is 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(N2CCOCC2)nc2ccccn2c1=O.
What is the InChIKey of 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is NWYVTRPHYSYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-9-10-12(15-5-7-19-8-6-15)14-11-3-1-2-4-16(11)13(10)18/h1-4,9H,5-8H2.
What are the key properties of 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 259.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 702108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).