4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine

C11H6Cl3IN2 — CID 106818017

IUPAC4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
SMILESCc1ccc(-c2nc(Cl)c(I)c(Cl)n2)cc1Cl
InChIInChI=1S/C11H6Cl3IN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyMJSIURCAZNBTLX-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.02
Rot. Bonds1

About 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine

4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine (PubChem CID 106818017) has the molecular formula C11H6Cl3IN2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
PubChem CID106818017
Molecular FormulaC11H6Cl3IN2
Molecular Weight399.45 g/mol
Exact Mass397.86
IUPAC Name4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
SMILESCc1ccc(-c2nc(Cl)c(I)c(Cl)n2)cc1Cl
InChIInChI=1S/C11H6Cl3IN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyMJSIURCAZNBTLX-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
CID 106818359
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 114077143

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine (CID 106818017) is 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine is Cc1ccc(-c2nc(Cl)c(I)c(Cl)n2)cc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine?
The InChIKey is MJSIURCAZNBTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3IN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3.
What are the key properties of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine?
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine has a molecular weight of 399.45 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine is sourced from PubChem (CID 106818017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).