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

C8H6I2N4 — CID 130508307

IUPAC2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(-n2cnc(I)c2I)n1
InChIInChI=1S/C8H6I2N4/c1-5-2-3-11-8(13-5)14-4-12-6(9)7(14)10/h2-4H,1H3
InChIKeyFXPBMCBHLZZFCL-UHFFFAOYSA-N
MW411.97 g/mol
LogP2.18
Rot. Bonds1

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

2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine (PubChem CID 130508307) has the molecular formula C8H6I2N4 and a molecular weight of 411.97 g/mol. Its IUPAC name is 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine
PubChem CID130508307
Molecular FormulaC8H6I2N4
Molecular Weight411.97 g/mol
Exact Mass411.87
IUPAC Name2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(-n2cnc(I)c2I)n1
InChIInChI=1S/C8H6I2N4/c1-5-2-3-11-8(13-5)14-4-12-6(9)7(14)10/h2-4H,1H3
InChIKeyFXPBMCBHLZZFCL-UHFFFAOYSA-N
XLogP2.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.97
LogP ≤ 52.18
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 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine?
The IUPAC name of 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine (CID 130508307) is 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine is Cc1ccnc(-n2cnc(I)c2I)n1.
What is the InChIKey of 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine?
The InChIKey is FXPBMCBHLZZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2N4/c1-5-2-3-11-8(13-5)14-4-12-6(9)7(14)10/h2-4H,1H3.
What are the key properties of 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine?
2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine has a molecular weight of 411.97 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diiodoimidazol-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 130508307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).