5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one

C12H9BrClFN2O2 — CID 102878320

IUPAC5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc(Cl)c(Br)c2=O)c(F)c1
InChIInChI=1S/C12H9BrClFN2O2/c1-19-8-3-2-7(9(15)4-8)5-17-6-16-11(14)10(13)12(17)18/h2-4,6H,5H2,1H3
InChIKeyOPOUZNJYHCKPDP-UHFFFAOYSA-N
MW347.57 g/mol
LogP2.86
Rot. Bonds3

About 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one

5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one (PubChem CID 102878320) has the molecular formula C12H9BrClFN2O2 and a molecular weight of 347.57 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one
PubChem CID102878320
Molecular FormulaC12H9BrClFN2O2
Molecular Weight347.57 g/mol
Exact Mass345.95
IUPAC Name5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc(Cl)c(Br)c2=O)c(F)c1
InChIInChI=1S/C12H9BrClFN2O2/c1-19-8-3-2-7(9(15)4-8)5-17-6-16-11(14)10(13)12(17)18/h2-4,6H,5H2,1H3
InChIKeyOPOUZNJYHCKPDP-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
5-bromo-3-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 66310445
1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 102877143
chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
CID 19007208
5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
5-bromo-6-chloro-3-[(3-nitrophenyl)methyl]pyrimidin-4-one
CID 114583616
5-bromo-6-chloro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114583673
6-chloro-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-iodopyrimidin-4-one
CID 114584029
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 736493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one (CID 102878320) is 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one is COc1ccc(Cn2cnc(Cl)c(Br)c2=O)c(F)c1.
What is the InChIKey of 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one?
The InChIKey is OPOUZNJYHCKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2/c1-19-8-3-2-7(9(15)4-8)5-17-6-16-11(14)10(13)12(17)18/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one has a molecular weight of 347.57 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[(2-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 102878320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).