2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine

C6H7Cl2N3 — CID 86176520

IUPAC2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H7Cl2N3/c1-3-9-4(2)11-6(10-3)5(7)8/h5H,1-2H3
InChIKeyBAGUJUARAXITOI-UHFFFAOYSA-N
MW192.05 g/mol
LogP1.96
Rot. Bonds1

About 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine

2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine (PubChem CID 86176520) has the molecular formula C6H7Cl2N3 and a molecular weight of 192.05 g/mol. Its IUPAC name is 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine
PubChem CID86176520
Molecular FormulaC6H7Cl2N3
Molecular Weight192.05 g/mol
Exact Mass191.00
IUPAC Name2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H7Cl2N3/c1-3-9-4(2)11-6(10-3)5(7)8/h5H,1-2H3
InChIKeyBAGUJUARAXITOI-UHFFFAOYSA-N
XLogP1.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine (CID 86176520) is 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(C(Cl)Cl)n1.
What is the InChIKey of 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine?
The InChIKey is BAGUJUARAXITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3/c1-3-9-4(2)11-6(10-3)5(7)8/h5H,1-2H3.
What are the key properties of 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine?
2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine has a molecular weight of 192.05 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 86176520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).