2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde

C8H11N3O2 — CID 89037023

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde
SMILESCc1nc(N)nc(C)c1OCC=O
InChIInChI=1S/C8H11N3O2/c1-5-7(13-4-3-12)6(2)11-8(9)10-5/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyYAPKJQUJJOPVGA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.25
Rot. Bonds3

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde

2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde (PubChem CID 89037023) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde
PubChem CID89037023
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde
SMILESCc1nc(N)nc(C)c1OCC=O
InChIInChI=1S/C8H11N3O2/c1-5-7(13-4-3-12)6(2)11-8(9)10-5/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyYAPKJQUJJOPVGA-UHFFFAOYSA-N
XLogP0.25
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
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-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde (CID 89037023) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde is Cc1nc(N)nc(C)c1OCC=O.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde?
The InChIKey is YAPKJQUJJOPVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-7(13-4-3-12)6(2)11-8(9)10-5/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)oxyacetaldehyde is sourced from PubChem (CID 89037023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).