4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one

C12H11FN2O2 — CID 103241892

IUPAC4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-5-9(13)3-4-10(7)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyLFPMTJMWYKQCFG-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.32
Rot. Bonds2

About 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one

4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241892) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103241892
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-5-9(13)3-4-10(7)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyLFPMTJMWYKQCFG-UHFFFAOYSA-N
XLogP2.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
2-[2-(4-Methoxy-phenyl)-ethyl]-6-trifluoromethyl-pyrimidin-4-ol
CID 136048720
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 75535521
(6,6-difluoro-5-methylhex-5-enyl) 4-(2-methylphenoxy)-6-oxo-1H-pyrimidine-2-carboxylate
CID 23020274
(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
CID 134582115
4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 153728001
6-(4-Methoxyphenyl)-2-methylpyrimidin-4(1H)-one
CID 135629818
5-fluoro-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 10799674
4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 55259166
2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613094
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 71871881
2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 71916382

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one (CID 103241892) is 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LFPMTJMWYKQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-5-9(13)3-4-10(7)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 234.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).