4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine

C8H5ClI2N4 — CID 130508571

IUPAC4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2cnc(I)c2I)n1
InChIInChI=1S/C8H5ClI2N4/c1-4-13-5(9)2-6(14-4)15-3-12-7(10)8(15)11/h2-3H,1H3
InChIKeySDQHJXQRLRPVSY-UHFFFAOYSA-N
MW446.42 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine

4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine (PubChem CID 130508571) has the molecular formula C8H5ClI2N4 and a molecular weight of 446.42 g/mol. Its IUPAC name is 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine
PubChem CID130508571
Molecular FormulaC8H5ClI2N4
Molecular Weight446.42 g/mol
Exact Mass445.83
IUPAC Name4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2cnc(I)c2I)n1
InChIInChI=1S/C8H5ClI2N4/c1-4-13-5(9)2-6(14-4)15-3-12-7(10)8(15)11/h2-3H,1H3
InChIKeySDQHJXQRLRPVSY-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine (CID 130508571) is 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine is Cc1nc(Cl)cc(-n2cnc(I)c2I)n1.
What is the InChIKey of 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine?
The InChIKey is SDQHJXQRLRPVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClI2N4/c1-4-13-5(9)2-6(14-4)15-3-12-7(10)8(15)11/h2-3H,1H3.
What are the key properties of 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine?
4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine has a molecular weight of 446.42 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,5-diiodoimidazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 130508571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).