1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C11H8BrClN2O3 — CID 112600514

IUPAC1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cc(Br)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H8BrClN2O3/c1-5-9(16)14-11(18)15(10(5)17)8-4-6(12)2-3-7(8)13/h2-4,17H,1H3,(H,14,16,18)
InChIKeyRJQOKHXHLVFPDW-UHFFFAOYSA-N
MW331.55 g/mol
LogP1.96
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112600514) has the molecular formula C11H8BrClN2O3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112600514
Molecular FormulaC11H8BrClN2O3
Molecular Weight331.55 g/mol
Exact Mass329.94
IUPAC Name1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cc(Br)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H8BrClN2O3/c1-5-9(16)14-11(18)15(10(5)17)8-4-6(12)2-3-7(8)13/h2-4,17H,1H3,(H,14,16,18)
InChIKeyRJQOKHXHLVFPDW-UHFFFAOYSA-N
XLogP1.96
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115946946
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599157
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
2-(5-bromo-2-chlorophenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136781996
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112600514) is 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(-c2cc(Br)ccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is RJQOKHXHLVFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O3/c1-5-9(16)14-11(18)15(10(5)17)8-4-6(12)2-3-7(8)13/h2-4,17H,1H3,(H,14,16,18).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 331.55 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112600514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).