4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine

C11H5Cl4IN2 — CID 66316635

IUPAC4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
SMILESClc1cccc(Cl)c1Cc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H5Cl4IN2/c12-6-2-1-3-7(13)5(6)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2
InChIKeyOZSNIXLGWWPYEN-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.29
Rot. Bonds2

About 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine

4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine (PubChem CID 66316635) has the molecular formula C11H5Cl4IN2 and a molecular weight of 433.89 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
PubChem CID66316635
Molecular FormulaC11H5Cl4IN2
Molecular Weight433.89 g/mol
Exact Mass431.83
IUPAC Name4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
SMILESClc1cccc(Cl)c1Cc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H5Cl4IN2/c12-6-2-1-3-7(13)5(6)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2
InChIKeyOZSNIXLGWWPYEN-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
CID 66293688
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757848
2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
CID 5297686
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191077
2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloro-5-iodopyrimidine
CID 66314964
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62319495

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine (CID 66316635) is 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine is Clc1cccc(Cl)c1Cc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine?
The InChIKey is OZSNIXLGWWPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4IN2/c12-6-2-1-3-7(13)5(6)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2.
What are the key properties of 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine?
4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine has a molecular weight of 433.89 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine is sourced from PubChem (CID 66316635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).