6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one

C13H13FN2O — CID 106884727

IUPAC6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C)c(-c2[nH]c(=O)ncc2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-7-4-8(2)11(10(14)5-7)12-9(3)6-15-13(17)16-12/h4-6H,1-3H3,(H,15,16,17)
InChIKeyLPIQDKVHBSJLTA-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.50
Rot. Bonds1

About 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one

6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one (PubChem CID 106884727) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one
PubChem CID106884727
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C)c(-c2[nH]c(=O)ncc2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-7-4-8(2)11(10(14)5-7)12-9(3)6-15-13(17)16-12/h4-6H,1-3H3,(H,15,16,17)
InChIKeyLPIQDKVHBSJLTA-UHFFFAOYSA-N
XLogP2.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106514972
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516880
5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106520467
6,8-dimethyl-1H-quinazolin-2-one
CID 163903053
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106884690
5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
CID 106518511
4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine
CID 106882652
methyl 3-fluoro-5-(5-methyl-2-oxo-1H-pyrimidin-6-yl)benzoate
CID 106522923
5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106884726
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
CID 142546478
4-(2-fluoro-4,6-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 106884676
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
CID 106515932

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one (CID 106884727) is 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one is Cc1cc(C)c(-c2[nH]c(=O)ncc2C)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one?
The InChIKey is LPIQDKVHBSJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-7-4-8(2)11(10(14)5-7)12-9(3)6-15-13(17)16-12/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one?
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106884727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).