2,4,5,6-tetrachloropyrimidine

C4Cl4N2 — CID 15690

IUPAC2,4,5,6-tetrachloropyrimidine
SMILESClc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKeyGVBHCMNXRKOJRH-UHFFFAOYSA-N
MW217.87 g/mol
LogP3.09
Rot. Bonds

About 2,4,5,6-tetrachloropyrimidine

2,4,5,6-tetrachloropyrimidine (PubChem CID 15690) has the molecular formula C4Cl4N2 and a molecular weight of 217.87 g/mol. Its IUPAC name is 2,4,5,6-tetrachloropyrimidine.

Molecular Properties

Compound Name2,4,5,6-tetrachloropyrimidine
PubChem CID15690
Molecular FormulaC4Cl4N2
Molecular Weight217.87 g/mol
Exact Mass215.88
IUPAC Name2,4,5,6-tetrachloropyrimidine
SMILESClc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKeyGVBHCMNXRKOJRH-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrachloropyrimidine?
The IUPAC name of 2,4,5,6-tetrachloropyrimidine (CID 15690) is 2,4,5,6-tetrachloropyrimidine.
What is the SMILES notation for 2,4,5,6-tetrachloropyrimidine?
The canonical SMILES for 2,4,5,6-tetrachloropyrimidine is Clc1nc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 2,4,5,6-tetrachloropyrimidine?
The InChIKey is GVBHCMNXRKOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7.
What are the key properties of 2,4,5,6-tetrachloropyrimidine?
2,4,5,6-tetrachloropyrimidine has a molecular weight of 217.87 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrachloropyrimidine is sourced from PubChem (CID 15690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).