5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione

C13H11BrN2O3 — CID 107580582

IUPAC5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cc(C)cc(Br)c2)c1=O
InChIInChI=1S/C13H11BrN2O3/c1-7-3-9(14)5-10(4-7)16-12(18)11(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19)
InChIKeyZZOHIINWBIQVRM-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.80
Rot. Bonds2

About 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 107580582) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID107580582
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cc(C)cc(Br)c2)c1=O
InChIInChI=1S/C13H11BrN2O3/c1-7-3-9(14)5-10(4-7)16-12(18)11(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19)
InChIKeyZZOHIINWBIQVRM-UHFFFAOYSA-N
XLogP1.80
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetyl-3-(3-bromo-4-chlorophenyl)-1H-pyrimidine-2,4-dione
CID 80643787
5-acetyl-3-(3,4-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 80643335
5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 80642770
5-acetyl-3-(1,3-benzodioxol-5-yl)-1H-pyrimidine-2,4-dione
CID 80643686
5-acetyl-3-(2-iodophenyl)-1H-pyrimidine-2,4-dione
CID 80643117
5-acetyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 80649586
5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
CID 80643260
5-acetyl-3-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
CID 51056920
3-(3-bromo-5-methylphenyl)-4-methyl-1H-imidazole-2-thione
CID 107576722
5-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-fluorobenzonitrile
CID 80643209
5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 80643071
5-acetyl-3-cyclopentyl-1H-pyrimidine-2,4-dione
CID 80642763

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione (CID 107580582) is 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2cc(C)cc(Br)c2)c1=O.
What is the InChIKey of 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZZOHIINWBIQVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-3-9(14)5-10(4-7)16-12(18)11(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19).
What are the key properties of 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 323.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107580582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).