1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C13H13BrN2O3 — CID 112598961

IUPAC1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Br)c(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13BrN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)8-4-5-10(14)7(2)6-8/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyDJLUZQJALBPAFG-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598961) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112598961
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Br)c(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13BrN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)8-4-5-10(14)7(2)6-8/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyDJLUZQJALBPAFG-UHFFFAOYSA-N
XLogP1.86
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
1-(1,3-benzodioxol-5-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946521
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 107812190
4-(4-bromo-3-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898020
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112598961) is 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(Br)c(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is DJLUZQJALBPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)8-4-5-10(14)7(2)6-8/h4-6,18H,3H2,1-2H3,(H,15,17,19).
What are the key properties of 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 325.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).