2,4,6-trichlorothieno[2,3-d]pyrimidine

C6HCl3N2S — CID 18460009

IUPAC2,4,6-trichlorothieno[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc(Cl)sc2n1
InChIInChI=1S/C6HCl3N2S/c7-3-1-2-4(8)10-6(9)11-5(2)12-3/h1H
InChIKeyXNAZNWXVGHIFTK-UHFFFAOYSA-N
MW239.51 g/mol
LogP3.65
Rot. Bonds

About 2,4,6-trichlorothieno[2,3-d]pyrimidine

2,4,6-trichlorothieno[2,3-d]pyrimidine (PubChem CID 18460009) has the molecular formula C6HCl3N2S and a molecular weight of 239.51 g/mol. Its IUPAC name is 2,4,6-trichlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,6-trichlorothieno[2,3-d]pyrimidine
PubChem CID18460009
Molecular FormulaC6HCl3N2S
Molecular Weight239.51 g/mol
Exact Mass237.89
IUPAC Name2,4,6-trichlorothieno[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc(Cl)sc2n1
InChIInChI=1S/C6HCl3N2S/c7-3-1-2-4(8)10-6(9)11-5(2)12-3/h1H
InChIKeyXNAZNWXVGHIFTK-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichlorothieno[2,3-d]pyrimidine?
The IUPAC name of 2,4,6-trichlorothieno[2,3-d]pyrimidine (CID 18460009) is 2,4,6-trichlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,4,6-trichlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 2,4,6-trichlorothieno[2,3-d]pyrimidine is Clc1nc(Cl)c2cc(Cl)sc2n1.
What is the InChIKey of 2,4,6-trichlorothieno[2,3-d]pyrimidine?
The InChIKey is XNAZNWXVGHIFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2S/c7-3-1-2-4(8)10-6(9)11-5(2)12-3/h1H.
What are the key properties of 2,4,6-trichlorothieno[2,3-d]pyrimidine?
2,4,6-trichlorothieno[2,3-d]pyrimidine has a molecular weight of 239.51 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 18460009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).