6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione

C11H7Cl2IN2O2 — CID 107605037

IUPAC6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2Cl)c1=O
InChIInChI=1S/C11H7Cl2IN2O2/c1-5-9(13)15-11(18)16(10(5)17)8-3-2-6(14)4-7(8)12/h2-4H,1H3,(H,15,18)
InChIKeyBLMIIJVPHKPUGG-UHFFFAOYSA-N
MW397.00 g/mol
LogP2.75
Rot. Bonds1

About 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione

6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 107605037) has the molecular formula C11H7Cl2IN2O2 and a molecular weight of 397.00 g/mol. Its IUPAC name is 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID107605037
Molecular FormulaC11H7Cl2IN2O2
Molecular Weight397.00 g/mol
Exact Mass395.89
IUPAC Name6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2Cl)c1=O
InChIInChI=1S/C11H7Cl2IN2O2/c1-5-9(13)15-11(18)16(10(5)17)8-3-2-6(14)4-7(8)12/h2-4H,1H3,(H,15,18)
InChIKeyBLMIIJVPHKPUGG-UHFFFAOYSA-N
XLogP2.75
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.00
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
6-chloro-5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyrimidine-2,4-dione
CID 113404427
3-(2-chloro-4-iodophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107607187
6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
CID 113404466
1-(2-chloro-4-iodophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107605981
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
7-(2-chloro-4-iodophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 107604998
2-(2-chloro-4-iodophenyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107606945
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 166081178

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 107605037) is 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(Cl)[nH]c(=O)n(-c2ccc(I)cc2Cl)c1=O.
What is the InChIKey of 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BLMIIJVPHKPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2O2/c1-5-9(13)15-11(18)16(10(5)17)8-3-2-6(14)4-7(8)12/h2-4H,1H3,(H,15,18).
What are the key properties of 6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 397.00 g/mol, XLogP of 2.75, 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-chloro-4-iodophenyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107605037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).