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

C10H5BrCl2N2O2 — CID 107618042

IUPAC3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrCl2N2O2/c11-6-2-1-5(3-7(6)12)15-9(16)4-8(13)14-10(15)17/h1-4H,(H,14,17)
InChIKeyIENUPTGAZQXUTJ-UHFFFAOYSA-N
MW335.97 g/mol
LogP2.60
Rot. Bonds1

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

3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione (PubChem CID 107618042) has the molecular formula C10H5BrCl2N2O2 and a molecular weight of 335.97 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
PubChem CID107618042
Molecular FormulaC10H5BrCl2N2O2
Molecular Weight335.97 g/mol
Exact Mass333.89
IUPAC Name3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrCl2N2O2/c11-6-2-1-5(3-7(6)12)15-9(16)4-8(13)14-10(15)17/h1-4H,(H,14,17)
InChIKeyIENUPTGAZQXUTJ-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

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Related Compounds

6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 114250798
3-(1,3-benzothiazol-6-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 114002839
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 103482061
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
CID 10620646
4-(4-bromo-3-chlorophenyl)-1H-1,2,4-triazol-5-one
CID 107612864
3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione
CID 107614792
6-bromo-3-(4-bromo-3-chlorophenyl)-1H-benzimidazole-2-thione
CID 107613862
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
2-chloro-5-[2,4-dioxo-6-(trichloromethyl)-1H-pyrimidin-3-yl]benzoic acid
CID 67808649
(1S,7S)-4-(4-bromo-3-chlorophenyl)-3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one
CID 91563166
5-acetyl-3-(3-bromo-4-chlorophenyl)-1H-pyrimidine-2,4-dione
CID 80643787

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione (CID 107618042) is 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is IENUPTGAZQXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O2/c11-6-2-1-5(3-7(6)12)15-9(16)4-8(13)14-10(15)17/h1-4H,(H,14,17).
What are the key properties of 3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione?
3-(4-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-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107618042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).