4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine

C11H7Cl2IN2O — CID 107087736

IUPAC4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccccc1I
InChIInChI=1S/C11H7Cl2IN2O/c12-5-7-10(13)15-6-16-11(7)17-9-4-2-1-3-8(9)14/h1-4,6H,5H2
InChIKeySULFLCUZWALECL-UHFFFAOYSA-N
MW381.00 g/mol
LogP4.27
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine

4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine (PubChem CID 107087736) has the molecular formula C11H7Cl2IN2O and a molecular weight of 381.00 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
PubChem CID107087736
Molecular FormulaC11H7Cl2IN2O
Molecular Weight381.00 g/mol
Exact Mass379.90
IUPAC Name4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
SMILESClCc1c(Cl)ncnc1Oc1ccccc1I
InChIInChI=1S/C11H7Cl2IN2O/c12-5-7-10(13)15-6-16-11(7)17-9-4-2-1-3-8(9)14/h1-4,6H,5H2
InChIKeySULFLCUZWALECL-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine 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-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
4-chloro-5-(chloromethyl)-6-(5-chloro-2-nitrophenoxy)pyrimidine
CID 107088337
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine (CID 107087736) is 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine is ClCc1c(Cl)ncnc1Oc1ccccc1I.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine?
The InChIKey is SULFLCUZWALECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2O/c12-5-7-10(13)15-6-16-11(7)17-9-4-2-1-3-8(9)14/h1-4,6H,5H2.
What are the key properties of 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine?
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine has a molecular weight of 381.00 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine is sourced from PubChem (CID 107087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).