5-iodo-4-methoxypyrimidine

C5H5IN2O — CID 10561760

IUPAC5-iodo-4-methoxypyrimidine
SMILESCOc1ncncc1I
InChIInChI=1S/C5H5IN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChIKeyHUCADZJNOMQGEE-UHFFFAOYSA-N
MW236.01 g/mol
LogP1.09
Rot. Bonds1

About 5-iodo-4-methoxypyrimidine

5-iodo-4-methoxypyrimidine (PubChem CID 10561760) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 5-iodo-4-methoxypyrimidine.

Molecular Properties

Compound Name5-iodo-4-methoxypyrimidine
PubChem CID10561760
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name5-iodo-4-methoxypyrimidine
SMILESCOc1ncncc1I
InChIInChI=1S/C5H5IN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChIKeyHUCADZJNOMQGEE-UHFFFAOYSA-N
XLogP1.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxypyrimidine?
The IUPAC name of 5-iodo-4-methoxypyrimidine (CID 10561760) is 5-iodo-4-methoxypyrimidine.
What is the SMILES notation for 5-iodo-4-methoxypyrimidine?
The canonical SMILES for 5-iodo-4-methoxypyrimidine is COc1ncncc1I.
What is the InChIKey of 5-iodo-4-methoxypyrimidine?
The InChIKey is HUCADZJNOMQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3.
What are the key properties of 5-iodo-4-methoxypyrimidine?
5-iodo-4-methoxypyrimidine has a molecular weight of 236.01 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxypyrimidine is sourced from PubChem (CID 10561760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).