2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one

C15H16N2O2 — CID 63769710

IUPAC2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2C)c(C)n1
InChIInChI=1S/C15H16N2O2/c1-10-6-4-5-7-13(10)14(18)9-17-12(3)16-11(2)8-15(17)19/h4-8H,9H2,1-3H3
InChIKeyKBQBDMPYPCVYKK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.05
Rot. Bonds3

About 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 63769710) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
PubChem CID63769710
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2C)c(C)n1
InChIInChI=1S/C15H16N2O2/c1-10-6-4-5-7-13(10)14(18)9-17-12(3)16-11(2)8-15(17)19/h4-8H,9H2,1-3H3
InChIKeyKBQBDMPYPCVYKK-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one 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 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one (CID 63769710) is 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)c2ccccc2C)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is KBQBDMPYPCVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-4-5-7-13(10)14(18)9-17-12(3)16-11(2)8-15(17)19/h4-8H,9H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 63769710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).