3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one

C14H16N2O2 — CID 106518634

IUPAC3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(C)c(C)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-7-11(18-4)5-6-12(8)13-14(17)16-10(3)9(2)15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyPRRIKJGZNOHVGI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.37
Rot. Bonds2

About 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106518634) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106518634
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(C)c(C)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-7-11(18-4)5-6-12(8)13-14(17)16-10(3)9(2)15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyPRRIKJGZNOHVGI-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 10489002
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106518634) is 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one is COc1ccc(-c2nc(C)c(C)[nH]c2=O)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is PRRIKJGZNOHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-7-11(18-4)5-6-12(8)13-14(17)16-10(3)9(2)15-13/h5-7H,1-4H3,(H,16,17).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106518634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).