2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine

C6H8IN3O2 — CID 89369379

IUPAC2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(CI)nc(OC)n1
InChIInChI=1S/C6H8IN3O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h3H2,1-2H3
InChIKeyRMSJJFRXXNNRFE-UHFFFAOYSA-N
MW281.05 g/mol
LogP0.82
Rot. Bonds3

About 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine

2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 89369379) has the molecular formula C6H8IN3O2 and a molecular weight of 281.05 g/mol. Its IUPAC name is 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID89369379
Molecular FormulaC6H8IN3O2
Molecular Weight281.05 g/mol
Exact Mass280.97
IUPAC Name2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(CI)nc(OC)n1
InChIInChI=1S/C6H8IN3O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h3H2,1-2H3
InChIKeyRMSJJFRXXNNRFE-UHFFFAOYSA-N
XLogP0.82
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine (CID 89369379) is 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(CI)nc(OC)n1.
What is the InChIKey of 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is RMSJJFRXXNNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O2/c1-11-5-8-4(3-7)9-6(10-5)12-2/h3H2,1-2H3.
What are the key properties of 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine?
2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 281.05 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 89369379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).