5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine

C14H6BrCl3N2S — CID 79431944

IUPAC5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)s1
InChIInChI=1S/C14H6BrCl3N2S/c15-8-3-1-2-7(6-8)11-12(17)19-14(20-13(11)18)9-4-5-10(16)21-9/h1-6H
InChIKeyRULBMJQDDGNAET-UHFFFAOYSA-N
MW420.55 g/mol
LogP6.59
Rot. Bonds2

About 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine

5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine (PubChem CID 79431944) has the molecular formula C14H6BrCl3N2S and a molecular weight of 420.55 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine
PubChem CID79431944
Molecular FormulaC14H6BrCl3N2S
Molecular Weight420.55 g/mol
Exact Mass417.85
IUPAC Name5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine
SMILESClc1ccc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)s1
InChIInChI=1S/C14H6BrCl3N2S/c15-8-3-1-2-7(6-8)11-12(17)19-14(20-13(11)18)9-4-5-10(16)21-9/h1-6H
InChIKeyRULBMJQDDGNAET-UHFFFAOYSA-N
XLogP6.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine?
The IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine (CID 79431944) is 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine is Clc1ccc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)s1.
What is the InChIKey of 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine?
The InChIKey is RULBMJQDDGNAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl3N2S/c15-8-3-1-2-7(6-8)11-12(17)19-14(20-13(11)18)9-4-5-10(16)21-9/h1-6H.
What are the key properties of 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine?
5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine has a molecular weight of 420.55 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine is sourced from PubChem (CID 79431944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).