2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde

C13H12N2O4 — CID 820623

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2ccccc2C=O)n1
InChIInChI=1S/C13H12N2O4/c1-17-11-7-12(18-2)15-13(14-11)19-10-6-4-3-5-9(10)8-16/h3-8H,1-2H3
InChIKeyOLJJNJSCMNETTB-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.10
Rot. Bonds5

About 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde

2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde (PubChem CID 820623) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
PubChem CID820623
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2ccccc2C=O)n1
InChIInChI=1S/C13H12N2O4/c1-17-11-7-12(18-2)15-13(14-11)19-10-6-4-3-5-9(10)8-16/h3-8H,1-2H3
InChIKeyOLJJNJSCMNETTB-UHFFFAOYSA-N
XLogP2.10
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde 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-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde (CID 820623) is 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde is COc1cc(OC)nc(Oc2ccccc2C=O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The InChIKey is OLJJNJSCMNETTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-17-11-7-12(18-2)15-13(14-11)19-10-6-4-3-5-9(10)8-16/h3-8H,1-2H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde has a molecular weight of 260.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde is sourced from PubChem (CID 820623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).