3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione

C10H5BrCl2N2O2 — CID 103482061

IUPAC3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1cccc(Cl)c1Br
InChIInChI=1S/C10H5BrCl2N2O2/c11-9-5(12)2-1-3-6(9)15-8(16)4-7(13)14-10(15)17/h1-4H,(H,14,17)
InChIKeyWPSWGZRTPJFVAZ-UHFFFAOYSA-N
MW335.97 g/mol
LogP2.60
Rot. Bonds1

About 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione

3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione (PubChem CID 103482061) has the molecular formula C10H5BrCl2N2O2 and a molecular weight of 335.97 g/mol. Its IUPAC name is 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
PubChem CID103482061
Molecular FormulaC10H5BrCl2N2O2
Molecular Weight335.97 g/mol
Exact Mass333.89
IUPAC Name3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1cccc(Cl)c1Br
InChIInChI=1S/C10H5BrCl2N2O2/c11-9-5(12)2-1-3-6(9)15-8(16)4-7(13)14-10(15)17/h1-4H,(H,14,17)
InChIKeyWPSWGZRTPJFVAZ-UHFFFAOYSA-N
XLogP2.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.97
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromo-3-chlorophenyl)-6-chloro-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

3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 107618042
3-(2-bromo-3-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 103480365
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-(2-bromo-3-chlorophenyl)-4-chloro-1H-benzimidazole-2-thione
CID 103480576
1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
CID 103481044
6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 113404586
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
CID 10620646
5-bromo-3-(2-bromo-3-chlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 103480565
4-(2-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 103481595
3-(2-bromo-3-chlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 153403402
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 114250798
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
CID 103479649

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione (CID 103482061) is 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1-c1cccc(Cl)c1Br.
What is the InChIKey of 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is WPSWGZRTPJFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O2/c11-9-5(12)2-1-3-6(9)15-8(16)4-7(13)14-10(15)17/h1-4H,(H,14,17).
What are the key properties of 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione has a molecular weight of 335.97 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).