5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine

C14H6Br2Cl2N2S — CID 79434225

IUPAC5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
SMILESClc1nc(-c2cc(Br)cs2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C14H6Br2Cl2N2S/c15-7-5-10(21-6-7)14-19-12(17)11(13(18)20-14)8-3-1-2-4-9(8)16/h1-6H
InChIKeyZOQWLVSEVNFRQD-UHFFFAOYSA-N
MW465.00 g/mol
LogP6.70
Rot. Bonds2

About 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine

5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine (PubChem CID 79434225) has the molecular formula C14H6Br2Cl2N2S and a molecular weight of 465.00 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
PubChem CID79434225
Molecular FormulaC14H6Br2Cl2N2S
Molecular Weight465.00 g/mol
Exact Mass461.80
IUPAC Name5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
SMILESClc1nc(-c2cc(Br)cs2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C14H6Br2Cl2N2S/c15-7-5-10(21-6-7)14-19-12(17)11(13(18)20-14)8-3-1-2-4-9(8)16/h1-6H
InChIKeyZOQWLVSEVNFRQD-UHFFFAOYSA-N
XLogP6.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine?
The IUPAC name of 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine (CID 79434225) is 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine is Clc1nc(-c2cc(Br)cs2)nc(Cl)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine?
The InChIKey is ZOQWLVSEVNFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2Cl2N2S/c15-7-5-10(21-6-7)14-19-12(17)11(13(18)20-14)8-3-1-2-4-9(8)16/h1-6H.
What are the key properties of 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine?
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine has a molecular weight of 465.00 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine is sourced from PubChem (CID 79434225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).