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

C14H15N3O — CID 734484

IUPAC1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H15N3O/c1-9-8-10(2)16-14(15-9)17-13-6-4-12(5-7-13)11(3)18/h4-8H,1-3H3,(H,15,16,17)
InChIKeyKFRUEQDRNCSEGM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.04
Rot. Bonds3

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

1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone (PubChem CID 734484) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone
PubChem CID734484
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H15N3O/c1-9-8-10(2)16-14(15-9)17-13-6-4-12(5-7-13)11(3)18/h4-8H,1-3H3,(H,15,16,17)
InChIKeyKFRUEQDRNCSEGM-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]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-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone (CID 734484) is 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone?
The InChIKey is KFRUEQDRNCSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-8-10(2)16-14(15-9)17-13-6-4-12(5-7-13)11(3)18/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone?
1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 734484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).