2,4,6-trichloropyrimidine

C8H2Cl6N4 — CID 158990073

IUPAC2,4,6-trichloropyrimidine
SMILESClc1cc(Cl)nc(Cl)n1.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/2C4HCl3N2/c2*5-2-1-3(6)9-4(7)8-2/h2*1H
InChIKeyJQAYJJWJJJWLTR-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.87
Rot. Bonds

About 2,4,6-trichloropyrimidine

2,4,6-trichloropyrimidine (PubChem CID 158990073) has the molecular formula C8H2Cl6N4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2,4,6-trichloropyrimidine.

Molecular Properties

Compound Name2,4,6-trichloropyrimidine
PubChem CID158990073
Molecular FormulaC8H2Cl6N4
Molecular Weight366.85 g/mol
Exact Mass363.84
IUPAC Name2,4,6-trichloropyrimidine
SMILESClc1cc(Cl)nc(Cl)n1.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/2C4HCl3N2/c2*5-2-1-3(6)9-4(7)8-2/h2*1H
InChIKeyJQAYJJWJJJWLTR-UHFFFAOYSA-N
XLogP4.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyrimidine?
The IUPAC name of 2,4,6-trichloropyrimidine (CID 158990073) is 2,4,6-trichloropyrimidine.
What is the SMILES notation for 2,4,6-trichloropyrimidine?
The canonical SMILES for 2,4,6-trichloropyrimidine is Clc1cc(Cl)nc(Cl)n1.Clc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4,6-trichloropyrimidine?
The InChIKey is JQAYJJWJJJWLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4HCl3N2/c2*5-2-1-3(6)9-4(7)8-2/h2*1H.
What are the key properties of 2,4,6-trichloropyrimidine?
2,4,6-trichloropyrimidine has a molecular weight of 366.85 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyrimidine is sourced from PubChem (CID 158990073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).