5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione

C15H15BrN2O3 — CID 106185818

IUPAC5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
SMILESCC(C)=CCn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15BrN2O3/c1-9(2)6-7-18-14(20)12(13(19)17-15(18)21)10-4-3-5-11(16)8-10/h3-6,8,20H,7H2,1-2H3,(H,17,19,21)
InChIKeyOKMXHNZXYWTSDE-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.64
Rot. Bonds3

About 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione

5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione (PubChem CID 106185818) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
PubChem CID106185818
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
SMILESCC(C)=CCn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15BrN2O3/c1-9(2)6-7-18-14(20)12(13(19)17-15(18)21)10-4-3-5-11(16)8-10/h3-6,8,20H,7H2,1-2H3,(H,17,19,21)
InChIKeyOKMXHNZXYWTSDE-UHFFFAOYSA-N
XLogP2.64
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702118
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
5-(3-bromophenyl)-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705983
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
5-(3-bromophenyl)-2-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439466
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 122239111

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione (CID 106185818) is 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione is CC(C)=CCn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione?
The InChIKey is OKMXHNZXYWTSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9(2)6-7-18-14(20)12(13(19)17-15(18)21)10-4-3-5-11(16)8-10/h3-6,8,20H,7H2,1-2H3,(H,17,19,21).
What are the key properties of 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione?
5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione has a molecular weight of 351.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106185818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).