1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone

C8H9ClN2O — CID 12709743

IUPAC1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3
InChIKeyKUTYKKVYWNBBFN-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.95
Rot. Bonds1

About 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone

1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone (PubChem CID 12709743) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone
PubChem CID12709743
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3
InChIKeyKUTYKKVYWNBBFN-UHFFFAOYSA-N
XLogP1.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)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-chloro-2,6-dimethylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone (CID 12709743) is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone is CC(=O)c1c(C)nc(C)nc1Cl.
What is the InChIKey of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone?
The InChIKey is KUTYKKVYWNBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3.
What are the key properties of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone?
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone has a molecular weight of 184.63 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 12709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).