1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H7Br2FN2O3 — CID 112599158

IUPAC1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1cc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c(Br)c1
InChIInChI=1S/C11H7Br2FN2O3/c1-4-2-5(12)8(6(13)3-4)16-10(18)7(14)9(17)15-11(16)19/h2-3,18H,1H3,(H,15,17,19)
InChIKeyCEQWGIJZJLXHQE-UHFFFAOYSA-N
MW393.99 g/mol
LogP2.20
Rot. Bonds1

About 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599158) has the molecular formula C11H7Br2FN2O3 and a molecular weight of 393.99 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112599158
Molecular FormulaC11H7Br2FN2O3
Molecular Weight393.99 g/mol
Exact Mass391.88
IUPAC Name1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1cc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c(Br)c1
InChIInChI=1S/C11H7Br2FN2O3/c1-4-2-5(12)8(6(13)3-4)16-10(18)7(14)9(17)15-11(16)19/h2-3,18H,1H3,(H,15,17,19)
InChIKeyCEQWGIJZJLXHQE-UHFFFAOYSA-N
XLogP2.20
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107795625
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
4-(3-bromo-2-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585178
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112599158) is 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is Cc1cc(Br)c(-n2c(O)c(F)c(=O)[nH]c2=O)c(Br)c1.
What is the InChIKey of 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CEQWGIJZJLXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O3/c1-4-2-5(12)8(6(13)3-4)16-10(18)7(14)9(17)15-11(16)19/h2-3,18H,1H3,(H,15,17,19).
What are the key properties of 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 393.99 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).