4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine

C13H11Cl2IN2O — CID 113456422

IUPAC4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2c(Cl)cccc2OC)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2O/c1-3-8-11(16)12(15)18-13(17-8)10-7(14)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3
InChIKeyUXLZLVSBPAVBGU-UHFFFAOYSA-N
MW409.05 g/mol
LogP4.63
Rot. Bonds3

About 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine

4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine (PubChem CID 113456422) has the molecular formula C13H11Cl2IN2O and a molecular weight of 409.05 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
PubChem CID113456422
Molecular FormulaC13H11Cl2IN2O
Molecular Weight409.05 g/mol
Exact Mass407.93
IUPAC Name4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2c(Cl)cccc2OC)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2O/c1-3-8-11(16)12(15)18-13(17-8)10-7(14)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3
InChIKeyUXLZLVSBPAVBGU-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.05
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
4-chloro-6-ethyl-5-iodo-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 66293614
4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66313429
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339
2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136775571
8-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)quinoline
CID 66311874
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 114077143
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine (CID 113456422) is 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine is CCc1nc(-c2c(Cl)cccc2OC)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine?
The InChIKey is UXLZLVSBPAVBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2O/c1-3-8-11(16)12(15)18-13(17-8)10-7(14)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine?
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine has a molecular weight of 409.05 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 113456422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).