5-(iodomethyl)-2-methylpyrimidine

C6H7IN2 — CID 89353285

IUPAC5-(iodomethyl)-2-methylpyrimidine
SMILESCc1ncc(CI)cn1
InChIInChI=1S/C6H7IN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3
InChIKeyAIHCEZXGGJQCNV-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.72
Rot. Bonds1

About 5-(iodomethyl)-2-methylpyrimidine

5-(iodomethyl)-2-methylpyrimidine (PubChem CID 89353285) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 5-(iodomethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(iodomethyl)-2-methylpyrimidine
PubChem CID89353285
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name5-(iodomethyl)-2-methylpyrimidine
SMILESCc1ncc(CI)cn1
InChIInChI=1S/C6H7IN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3
InChIKeyAIHCEZXGGJQCNV-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-2-methylpyrimidine?
The IUPAC name of 5-(iodomethyl)-2-methylpyrimidine (CID 89353285) is 5-(iodomethyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(iodomethyl)-2-methylpyrimidine?
The canonical SMILES for 5-(iodomethyl)-2-methylpyrimidine is Cc1ncc(CI)cn1.
What is the InChIKey of 5-(iodomethyl)-2-methylpyrimidine?
The InChIKey is AIHCEZXGGJQCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3.
What are the key properties of 5-(iodomethyl)-2-methylpyrimidine?
5-(iodomethyl)-2-methylpyrimidine has a molecular weight of 234.04 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-2-methylpyrimidine is sourced from PubChem (CID 89353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).