2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde

C8H10N2O2 — CID 118097097

IUPAC2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde
SMILESCc1ncc(OCC=O)c(C)n1
InChIInChI=1S/C8H10N2O2/c1-6-8(12-4-3-11)5-9-7(2)10-6/h3,5H,4H2,1-2H3
InChIKeyJOFKUGGRHFGNPG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.67
Rot. Bonds3

About 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde

2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde (PubChem CID 118097097) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde
PubChem CID118097097
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde
SMILESCc1ncc(OCC=O)c(C)n1
InChIInChI=1S/C8H10N2O2/c1-6-8(12-4-3-11)5-9-7(2)10-6/h3,5H,4H2,1-2H3
InChIKeyJOFKUGGRHFGNPG-UHFFFAOYSA-N
XLogP0.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.67
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 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The IUPAC name of 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde (CID 118097097) is 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The canonical SMILES for 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde is Cc1ncc(OCC=O)c(C)n1.
What is the InChIKey of 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The InChIKey is JOFKUGGRHFGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-8(12-4-3-11)5-9-7(2)10-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde?
2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrimidin-5-yl)oxyacetaldehyde is sourced from PubChem (CID 118097097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).