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

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Related Compounds

3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63768337
6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
3-[2-(furan-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 55237816
3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63770065
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63769202
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
[2-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]phenyl]boronic acid
CID 63770082
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
CID 79374029
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590

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).