5-iodo-4-methylpyrimidine

C5H5IN2 — CID 13439270

IUPAC5-iodo-4-methylpyrimidine
SMILESCc1ncncc1I
InChIInChI=1S/C5H5IN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChIKeyUEOHKOJFUQOWKY-UHFFFAOYSA-N
MW220.01 g/mol
LogP1.39
Rot. Bonds

About 5-iodo-4-methylpyrimidine

5-iodo-4-methylpyrimidine (PubChem CID 13439270) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 5-iodo-4-methylpyrimidine.

Molecular Properties

Compound Name5-iodo-4-methylpyrimidine
PubChem CID13439270
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name5-iodo-4-methylpyrimidine
SMILESCc1ncncc1I
InChIInChI=1S/C5H5IN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChIKeyUEOHKOJFUQOWKY-UHFFFAOYSA-N
XLogP1.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.39
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 5-iodo-4-methylpyrimidine?
The IUPAC name of 5-iodo-4-methylpyrimidine (CID 13439270) is 5-iodo-4-methylpyrimidine.
What is the SMILES notation for 5-iodo-4-methylpyrimidine?
The canonical SMILES for 5-iodo-4-methylpyrimidine is Cc1ncncc1I.
What is the InChIKey of 5-iodo-4-methylpyrimidine?
The InChIKey is UEOHKOJFUQOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3.
What are the key properties of 5-iodo-4-methylpyrimidine?
5-iodo-4-methylpyrimidine has a molecular weight of 220.01 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methylpyrimidine is sourced from PubChem (CID 13439270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).