4,6-diiodo-2-methylpyrimidine

C5H4I2N2 — CID 15561305

IUPAC4,6-diiodo-2-methylpyrimidine
SMILESCc1nc(I)cc(I)n1
InChIInChI=1S/C5H4I2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
InChIKeyPLRCTNAFIAHOAW-UHFFFAOYSA-N
MW345.91 g/mol
LogP1.99
Rot. Bonds

About 4,6-diiodo-2-methylpyrimidine

4,6-diiodo-2-methylpyrimidine (PubChem CID 15561305) has the molecular formula C5H4I2N2 and a molecular weight of 345.91 g/mol. Its IUPAC name is 4,6-diiodo-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-diiodo-2-methylpyrimidine
PubChem CID15561305
Molecular FormulaC5H4I2N2
Molecular Weight345.91 g/mol
Exact Mass345.85
IUPAC Name4,6-diiodo-2-methylpyrimidine
SMILESCc1nc(I)cc(I)n1
InChIInChI=1S/C5H4I2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
InChIKeyPLRCTNAFIAHOAW-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diiodo-2-methylpyrimidine?
The IUPAC name of 4,6-diiodo-2-methylpyrimidine (CID 15561305) is 4,6-diiodo-2-methylpyrimidine.
What is the SMILES notation for 4,6-diiodo-2-methylpyrimidine?
The canonical SMILES for 4,6-diiodo-2-methylpyrimidine is Cc1nc(I)cc(I)n1.
What is the InChIKey of 4,6-diiodo-2-methylpyrimidine?
The InChIKey is PLRCTNAFIAHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4I2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3.
What are the key properties of 4,6-diiodo-2-methylpyrimidine?
4,6-diiodo-2-methylpyrimidine has a molecular weight of 345.91 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodo-2-methylpyrimidine is sourced from PubChem (CID 15561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).