1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H8BrFN2O4 — CID 112600912

IUPAC1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H8BrFN2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyXICCXVHERIKBLP-UHFFFAOYSA-N
MW331.10 g/mol
LogP1.14
Rot. Bonds2

About 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112600912) has the molecular formula C11H8BrFN2O4 and a molecular weight of 331.10 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112600912
Molecular FormulaC11H8BrFN2O4
Molecular Weight331.10 g/mol
Exact Mass329.97
IUPAC Name1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H8BrFN2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyXICCXVHERIKBLP-UHFFFAOYSA-N
XLogP1.14
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107795625
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
6-bromo-3-(2-bromo-5-methoxyphenyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66088419
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112600912) is 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is COc1ccc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is XICCXVHERIKBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18).
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 331.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112600912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).