1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone

C14H14N2O3 — CID 135006298

IUPAC1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone
SMILESCOc1cc(-c2ccc(C(C)=O)cc2)nc(OC)n1
InChIInChI=1S/C14H14N2O3/c1-9(17)10-4-6-11(7-5-10)12-8-13(18-2)16-14(15-12)19-3/h4-8H,1-3H3
InChIKeyHWKJAUJXVFKMBM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.36
Rot. Bonds4

About 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone

1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone (PubChem CID 135006298) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone
PubChem CID135006298
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone
SMILESCOc1cc(-c2ccc(C(C)=O)cc2)nc(OC)n1
InChIInChI=1S/C14H14N2O3/c1-9(17)10-4-6-11(7-5-10)12-8-13(18-2)16-14(15-12)19-3/h4-8H,1-3H3
InChIKeyHWKJAUJXVFKMBM-UHFFFAOYSA-N
XLogP2.36
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone 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 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone (CID 135006298) is 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone is COc1cc(-c2ccc(C(C)=O)cc2)nc(OC)n1.
What is the InChIKey of 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone?
The InChIKey is HWKJAUJXVFKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)10-4-6-11(7-5-10)12-8-13(18-2)16-14(15-12)19-3/h4-8H,1-3H3.
What are the key properties of 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone?
1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone has a molecular weight of 258.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 135006298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).