5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine

C8H3BrCl2N2S — CID 14117946

IUPAC5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine
SMILESClc1nc(Cl)c(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H3BrCl2N2S/c9-5-6(4-2-1-3-14-4)12-8(11)13-7(5)10/h1-3H
InChIKeyDWKOYDPVVRZISR-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.27
Rot. Bonds1

About 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine

5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine (PubChem CID 14117946) has the molecular formula C8H3BrCl2N2S and a molecular weight of 310.00 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine
PubChem CID14117946
Molecular FormulaC8H3BrCl2N2S
Molecular Weight310.00 g/mol
Exact Mass307.86
IUPAC Name5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine
SMILESClc1nc(Cl)c(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H3BrCl2N2S/c9-5-6(4-2-1-3-14-4)12-8(11)13-7(5)10/h1-3H
InChIKeyDWKOYDPVVRZISR-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine?
The IUPAC name of 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine (CID 14117946) is 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine is Clc1nc(Cl)c(Br)c(-c2cccs2)n1.
What is the InChIKey of 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine?
The InChIKey is DWKOYDPVVRZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2S/c9-5-6(4-2-1-3-14-4)12-8(11)13-7(5)10/h1-3H.
What are the key properties of 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine?
5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine has a molecular weight of 310.00 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 14117946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).