5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione

C15H17BrN2O3 — CID 115945849

IUPAC5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(O)c(-c2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C15H17BrN2O3/c1-4-15(2,3)18-13(20)11(12(19)17-14(18)21)9-7-5-6-8-10(9)16/h5-8,20H,4H2,1-3H3,(H,17,19,21)
InChIKeySDWMDBBYUBTJKU-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.82
Rot. Bonds3

About 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione

5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione (PubChem CID 115945849) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione
PubChem CID115945849
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(O)c(-c2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C15H17BrN2O3/c1-4-15(2,3)18-13(20)11(12(19)17-14(18)21)9-7-5-6-8-10(9)16/h5-8,20H,4H2,1-3H3,(H,17,19,21)
InChIKeySDWMDBBYUBTJKU-UHFFFAOYSA-N
XLogP2.82
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115945847
1-tert-butyl-6-hydroxy-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946021
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 79438852
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
5-(2-bromophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 79438851
2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439583
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115345591

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione (CID 115945849) is 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione is CCC(C)(C)n1c(O)c(-c2ccccc2Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione?
The InChIKey is SDWMDBBYUBTJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-4-15(2,3)18-13(20)11(12(19)17-14(18)21)9-7-5-6-8-10(9)16/h5-8,20H,4H2,1-3H3,(H,17,19,21).
What are the key properties of 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione?
5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione has a molecular weight of 353.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-6-hydroxy-1-(2-methylbutan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 115945849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).