6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione

C11H7Br2ClN2O2 — CID 10620646

IUPAC6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(Br)cc(Br)c1-n1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H7Br2ClN2O2/c1-5-2-6(12)3-7(13)10(5)16-9(17)4-8(14)15-11(16)18/h2-4H,1H3,(H,15,18)
InChIKeyYQFZBYLYDHAIFT-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.01
Rot. Bonds1

About 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione

6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 10620646) has the molecular formula C11H7Br2ClN2O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID10620646
Molecular FormulaC11H7Br2ClN2O2
Molecular Weight394.45 g/mol
Exact Mass391.86
IUPAC Name6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(Br)cc(Br)c1-n1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H7Br2ClN2O2/c1-5-2-6(12)3-7(13)10(5)16-9(17)4-8(14)15-11(16)18/h2-4H,1H3,(H,15,18)
InChIKeyYQFZBYLYDHAIFT-UHFFFAOYSA-N
XLogP3.01
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 107618042
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 114250798
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 103482061
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-(1,3-benzothiazol-6-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 114002839
2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
CID 168516145
8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976378
3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404461
6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione
CID 104830824
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione (CID 10620646) is 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1cc(Br)cc(Br)c1-n1c(=O)cc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YQFZBYLYDHAIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O2/c1-5-2-6(12)3-7(13)10(5)16-9(17)4-8(14)15-11(16)18/h2-4H,1H3,(H,15,18).
What are the key properties of 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 394.45 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10620646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).