3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one

C14H15FN2O — CID 106884690

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1cc(C)c(-c2nc(C)c(C)[nH]c2=O)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-7-5-8(2)12(11(15)6-7)13-14(18)17-10(4)9(3)16-13/h5-6H,1-4H3,(H,17,18)
InChIKeyQVMDLFNCTBTZGC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.81
Rot. Bonds1

About 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106884690) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106884690
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1cc(C)c(-c2nc(C)c(C)[nH]c2=O)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-7-5-8(2)12(11(15)6-7)13-14(18)17-10(4)9(3)16-13/h5-6H,1-4H3,(H,17,18)
InChIKeyQVMDLFNCTBTZGC-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
CID 106520357
4,5-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 118272345
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106884727
3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521910
2,5-dimethyl-4-(2,4,6-trimethylphenyl)-1H-imidazole
CID 22935263
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 106882788
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
4-(2-fluoro-4,6-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 106884676
5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
CID 106513767
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481
2-(2-fluoro-4,6-dimethylphenyl)pyridin-3-amine
CID 106882203
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106882792

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106884690) is 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one is Cc1cc(C)c(-c2nc(C)c(C)[nH]c2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is QVMDLFNCTBTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-7-5-8(2)12(11(15)6-7)13-14(18)17-10(4)9(3)16-13/h5-6H,1-4H3,(H,17,18).
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106884690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).