2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine

C12H8BrCl2IN2 — CID 114077143

IUPAC2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2ccc(Br)c(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C12H8BrCl2IN2/c1-2-9-10(16)11(15)18-12(17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3
InChIKeyUQZKMBLEGAXCOB-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.38
Rot. Bonds2

About 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine

2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine (PubChem CID 114077143) has the molecular formula C12H8BrCl2IN2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
PubChem CID114077143
Molecular FormulaC12H8BrCl2IN2
Molecular Weight457.92 g/mol
Exact Mass455.83
IUPAC Name2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2ccc(Br)c(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C12H8BrCl2IN2/c1-2-9-10(16)11(15)18-12(17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3
InChIKeyUQZKMBLEGAXCOB-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine 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

4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
CID 81436468
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
4-chloro-6-ethyl-5-iodo-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 66313626
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine (CID 114077143) is 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine is CCc1nc(-c2ccc(Br)c(Cl)c2)nc(Cl)c1I.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine?
The InChIKey is UQZKMBLEGAXCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2IN2/c1-2-9-10(16)11(15)18-12(17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine?
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine has a molecular weight of 457.92 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 114077143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).