2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde

C12H17N3O2 — CID 83896605

IUPAC2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
SMILESCCc1nc(N2CCOCC2)ncc1CC=O
InChIInChI=1S/C12H17N3O2/c1-2-11-10(3-6-16)9-13-12(14-11)15-4-7-17-8-5-15/h6,9H,2-5,7-8H2,1H3
InChIKeyXVEAWVHPXIIVAE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.62
Rot. Bonds4

About 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde

2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde (PubChem CID 83896605) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
PubChem CID83896605
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
SMILESCCc1nc(N2CCOCC2)ncc1CC=O
InChIInChI=1S/C12H17N3O2/c1-2-11-10(3-6-16)9-13-12(14-11)15-4-7-17-8-5-15/h6,9H,2-5,7-8H2,1H3
InChIKeyXVEAWVHPXIIVAE-UHFFFAOYSA-N
XLogP0.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde?
The IUPAC name of 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde (CID 83896605) is 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde?
The canonical SMILES for 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde is CCc1nc(N2CCOCC2)ncc1CC=O.
What is the InChIKey of 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde?
The InChIKey is XVEAWVHPXIIVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-11-10(3-6-16)9-13-12(14-11)15-4-7-17-8-5-15/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde?
2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde has a molecular weight of 235.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde is sourced from PubChem (CID 83896605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).