5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine

C14H7BrCl2N2S — CID 79438940

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
SMILESClc1nc(-c2ccsc2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C14H7BrCl2N2S/c15-10-4-2-1-3-9(10)11-12(16)18-14(19-13(11)17)8-5-6-20-7-8/h1-7H
InChIKeyTWNINKDJGGQSMJ-UHFFFAOYSA-N
MW386.10 g/mol
LogP5.94
Rot. Bonds2

About 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine

5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine (PubChem CID 79438940) has the molecular formula C14H7BrCl2N2S and a molecular weight of 386.10 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
PubChem CID79438940
Molecular FormulaC14H7BrCl2N2S
Molecular Weight386.10 g/mol
Exact Mass383.89
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
SMILESClc1nc(-c2ccsc2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C14H7BrCl2N2S/c15-10-4-2-1-3-9(10)11-12(16)18-14(19-13(11)17)8-5-6-20-7-8/h1-7H
InChIKeyTWNINKDJGGQSMJ-UHFFFAOYSA-N
XLogP5.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.10
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine (CID 79438940) is 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine is Clc1nc(-c2ccsc2)nc(Cl)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine?
The InChIKey is TWNINKDJGGQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2S/c15-10-4-2-1-3-9(10)11-12(16)18-14(19-13(11)17)8-5-6-20-7-8/h1-7H.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine has a molecular weight of 386.10 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine is sourced from PubChem (CID 79438940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).