5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C13H11BrN2O3 — CID 63776539

IUPAC5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H11BrN2O3/c1-8-4-2-3-5-9(8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyUWGBCCOOGCGNEU-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.49
Rot. Bonds3

About 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 63776539) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID63776539
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H11BrN2O3/c1-8-4-2-3-5-9(8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyUWGBCCOOGCGNEU-UHFFFAOYSA-N
XLogP1.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]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

6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-pyrimidine-2,4-dione
CID 483488
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-isopropyl-pyrimidine-2,4-dione
CID 45272480
Benzoylthymine
CID 667610
5-Benzyl-1-methylpyrimidine-2,4-dione
CID 306121
6-methoxy-1-(2-oxo-2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 657452
5-Fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione
CID 12690828
Urea, 1,1-dimethyl-3-(o-toluoyl)-
CID 201762
5-Benzoyl-6-amino-1,3-dimethyluracil
CID 322349
5-(2-Methyl-benzyl)-1H-pyrimidine-2,4-dione
CID 10376005
6-Benzoyl-1-(methoxymethyl)-5-methyl-pyrimidine-2,4-dione
CID 393264
1-(2-(4-Bromophenyl)-2-oxoethyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
CID 60735145
(e)-5-Fluoro-1-(2-oxo-2-(4-styrylphenyl)ethyl)pyrimidine-2,4(1h,3h)-dione
CID 172965199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 63776539) is 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is UWGBCCOOGCGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8-4-2-3-5-9(8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19).
What are the key properties of 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 323.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63776539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).