2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde

C9H11N3O2S — CID 88587195

IUPAC2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde
SMILESC=Cc1c(N)nc(SC)nc1OCC=O
InChIInChI=1S/C9H11N3O2S/c1-3-6-7(10)11-9(15-2)12-8(6)14-5-4-13/h3-4H,1,5H2,2H3,(H2,10,11,12)
InChIKeyNQNJLZGXVBNTMX-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.00
Rot. Bonds5

About 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde

2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde (PubChem CID 88587195) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde
PubChem CID88587195
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde
SMILESC=Cc1c(N)nc(SC)nc1OCC=O
InChIInChI=1S/C9H11N3O2S/c1-3-6-7(10)11-9(15-2)12-8(6)14-5-4-13/h3-4H,1,5H2,2H3,(H2,10,11,12)
InChIKeyNQNJLZGXVBNTMX-UHFFFAOYSA-N
XLogP1.00
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde?
The IUPAC name of 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde (CID 88587195) is 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde?
The canonical SMILES for 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde is C=Cc1c(N)nc(SC)nc1OCC=O.
What is the InChIKey of 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde?
The InChIKey is NQNJLZGXVBNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-3-6-7(10)11-9(15-2)12-8(6)14-5-4-13/h3-4H,1,5H2,2H3,(H2,10,11,12).
What are the key properties of 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde?
2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde has a molecular weight of 225.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-ethenyl-2-methylsulfanylpyrimidin-4-yl)oxyacetaldehyde is sourced from PubChem (CID 88587195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).