2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile

C15H15N3O3 — CID 79369825

IUPAC2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
SMILESCOc1nc(C)cc(=O)n1CCOc1ccccc1C#N
InChIInChI=1S/C15H15N3O3/c1-11-9-14(19)18(15(17-11)20-2)7-8-21-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3
InChIKeyQNCWCXVHLYMGEF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile

2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile (PubChem CID 79369825) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
PubChem CID79369825
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
SMILESCOc1nc(C)cc(=O)n1CCOc1ccccc1C#N
InChIInChI=1S/C15H15N3O3/c1-11-9-14(19)18(15(17-11)20-2)7-8-21-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3
InChIKeyQNCWCXVHLYMGEF-UHFFFAOYSA-N
XLogP1.51
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile 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-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile (CID 79369825) is 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile is COc1nc(C)cc(=O)n1CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile?
The InChIKey is QNCWCXVHLYMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-9-14(19)18(15(17-11)20-2)7-8-21-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile?
2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile has a molecular weight of 285.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 79369825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).