5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one

C13H11BrN2O2 — CID 137195237

IUPAC5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1c(C)nc(-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C13H11BrN2O2/c1-7-11(8(2)17)13(18)16-12(15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18)
InChIKeyAMZZLKAJISLXBS-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.71
Rot. Bonds2

About 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one

5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 137195237) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID137195237
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1c(C)nc(-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C13H11BrN2O2/c1-7-11(8(2)17)13(18)16-12(15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18)
InChIKeyAMZZLKAJISLXBS-UHFFFAOYSA-N
XLogP2.71
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136791147
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(4-bromophenyl)-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461922
2-(2-bromofuran-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136673919
5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 136740674
2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404435
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
ethyl 2-(4-bromophenyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 57337936
3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one (CID 137195237) is 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one is CC(=O)c1c(C)nc(-c2ccc(Br)cc2)[nH]c1=O.
What is the InChIKey of 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AMZZLKAJISLXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-7-11(8(2)17)13(18)16-12(15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one?
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 307.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137195237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).