5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one

C11H8BrFN2O2 — CID 135737352

IUPAC5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
SMILESO=c1c(Br)c(O)ncn1Cc1cccc(F)c1
InChIInChI=1S/C11H8BrFN2O2/c12-9-10(16)14-6-15(11(9)17)5-7-2-1-3-8(13)4-7/h1-4,6,16H,5H2
InChIKeyUCYWXWAIMBXWJY-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one

5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one (PubChem CID 135737352) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
PubChem CID135737352
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
SMILESO=c1c(Br)c(O)ncn1Cc1cccc(F)c1
InChIInChI=1S/C11H8BrFN2O2/c12-9-10(16)14-6-15(11(9)17)5-7-2-1-3-8(13)4-7/h1-4,6,16H,5H2
InChIKeyUCYWXWAIMBXWJY-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 21089595
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one
CID 135737353
5-bromo-3-[(3-fluorophenyl)methyl]-6-(3-propan-2-ylphenyl)pyrimidin-4-one
CID 21089586
5-bromo-3-[(3-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-one
CID 21089590
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
3-[[3-(aminomethyl)phenyl]methyl]-5-bromo-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089181
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one (CID 135737352) is 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one is O=c1c(Br)c(O)ncn1Cc1cccc(F)c1.
What is the InChIKey of 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one?
The InChIKey is UCYWXWAIMBXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-9-10(16)14-6-15(11(9)17)5-7-2-1-3-8(13)4-7/h1-4,6,16H,5H2.
What are the key properties of 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one?
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one has a molecular weight of 299.10 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135737352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).