5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one

C11H7BrF2N2O2 — CID 141127787

IUPAC5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(F)cc2F)c1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeySTPXOFQTKSVIGV-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one

5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 141127787) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID141127787
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC Name5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCc2ccc(F)cc2F)c1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeySTPXOFQTKSVIGV-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]acetamide
CID 11547368
N-[2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethyl]acetamide
CID 11554379
2-(2-Aminoethylamino)-5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11584581
3-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propylurea
CID 11662887
2-[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethylurea
CID 11669800
2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethylurea
CID 11712297
5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
CID 14276128
(E)-4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-methylbut-2-enamide
CID 21089101
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089325
5-Bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089619
5-Bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089621

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one (CID 141127787) is 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is O=c1[nH]cnc(OCc2ccc(F)cc2F)c1Br.
What is the InChIKey of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is STPXOFQTKSVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c12-9-10(17)15-5-16-11(9)18-4-6-1-2-7(13)3-8(6)14/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one?
5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 317.09 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 141127787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).