4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine

C9H8FIN4 — CID 66865373

IUPAC4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine
SMILESCc1nc(I)c(C)n1-c1cc(F)ncn1
InChIInChI=1S/C9H8FIN4/c1-5-9(11)14-6(2)15(5)8-3-7(10)12-4-13-8/h3-4H,1-2H3
InChIKeyCJIAGQZQWTTZGO-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.02
Rot. Bonds1

About 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine

4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine (PubChem CID 66865373) has the molecular formula C9H8FIN4 and a molecular weight of 318.09 g/mol. Its IUPAC name is 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine
PubChem CID66865373
Molecular FormulaC9H8FIN4
Molecular Weight318.09 g/mol
Exact Mass317.98
IUPAC Name4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine
SMILESCc1nc(I)c(C)n1-c1cc(F)ncn1
InChIInChI=1S/C9H8FIN4/c1-5-9(11)14-6(2)15(5)8-3-7(10)12-4-13-8/h3-4H,1-2H3
InChIKeyCJIAGQZQWTTZGO-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.02
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-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine (CID 66865373) is 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine is Cc1nc(I)c(C)n1-c1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine?
The InChIKey is CJIAGQZQWTTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN4/c1-5-9(11)14-6(2)15(5)8-3-7(10)12-4-13-8/h3-4H,1-2H3.
What are the key properties of 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine?
4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine has a molecular weight of 318.09 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-iodo-2,5-dimethylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 66865373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).