5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine

C12H6BrClN2S — CID 938877

IUPAC5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C12H6BrClN2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChIKeyTYMAQOZPKMPEEI-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.77
Rot. Bonds1

About 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine

5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine (PubChem CID 938877) has the molecular formula C12H6BrClN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
PubChem CID938877
Molecular FormulaC12H6BrClN2S
Molecular Weight325.62 g/mol
Exact Mass323.91
IUPAC Name5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C12H6BrClN2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChIKeyTYMAQOZPKMPEEI-UHFFFAOYSA-N
XLogP4.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine (CID 938877) is 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine is Clc1ncnc2scc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is TYMAQOZPKMPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H.
What are the key properties of 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine?
5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 325.62 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 938877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).