4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one

C13H13FN2O2 — CID 136769843

IUPAC4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc(C)[nH]c(=O)c2C)c1F
InChIInChI=1S/C13H13FN2O2/c1-7-12(15-8(2)16-13(7)17)9-5-4-6-10(18-3)11(9)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeySSWBGEYZEGBQSO-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.20
Rot. Bonds2

About 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one

4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136769843) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136769843
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc(C)[nH]c(=O)c2C)c1F
InChIInChI=1S/C13H13FN2O2/c1-7-12(15-8(2)16-13(7)17)9-5-4-6-10(18-3)11(9)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeySSWBGEYZEGBQSO-UHFFFAOYSA-N
XLogP2.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769851
6-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106520559
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(2-fluoro-3-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135508021
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 135491345
2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770430

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 136769843) is 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is COc1cccc(-c2nc(C)[nH]c(=O)c2C)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is SSWBGEYZEGBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-12(15-8(2)16-13(7)17)9-5-4-6-10(18-3)11(9)14/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).