2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde

C14H15N3O3 — CID 25126391

IUPAC2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde
SMILESO=CCC1CN(c2cc(=O)n3ccccc3n2)CCO1
InChIInChI=1S/C14H15N3O3/c18-7-4-11-10-16(6-8-20-11)13-9-14(19)17-5-2-1-3-12(17)15-13/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeyRXXCVUMHQBHWHF-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.49
Rot. Bonds3

About 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde

2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde (PubChem CID 25126391) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde
PubChem CID25126391
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde
SMILESO=CCC1CN(c2cc(=O)n3ccccc3n2)CCO1
InChIInChI=1S/C14H15N3O3/c18-7-4-11-10-16(6-8-20-11)13-9-14(19)17-5-2-1-3-12(17)15-13/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeyRXXCVUMHQBHWHF-UHFFFAOYSA-N
XLogP0.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.49
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-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde (CID 25126391) is 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde is O=CCC1CN(c2cc(=O)n3ccccc3n2)CCO1.
What is the InChIKey of 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde?
The InChIKey is RXXCVUMHQBHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-7-4-11-10-16(6-8-20-11)13-9-14(19)17-5-2-1-3-12(17)15-13/h1-3,5,7,9,11H,4,6,8,10H2.
What are the key properties of 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde?
2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde has a molecular weight of 273.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde is sourced from PubChem (CID 25126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).