6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine

C10H4BrClN2OS — CID 106854896

IUPAC6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccoc3Br)sc12
InChIInChI=1S/C10H4BrClN2OS/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(12)14-4-13-6/h1-4H
InChIKeyWXBIKJFITQQXDR-UHFFFAOYSA-N
MW315.58 g/mol
LogP4.37
Rot. Bonds1

About 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine

6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine (PubChem CID 106854896) has the molecular formula C10H4BrClN2OS and a molecular weight of 315.58 g/mol. Its IUPAC name is 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine
PubChem CID106854896
Molecular FormulaC10H4BrClN2OS
Molecular Weight315.58 g/mol
Exact Mass313.89
IUPAC Name6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccoc3Br)sc12
InChIInChI=1S/C10H4BrClN2OS/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(12)14-4-13-6/h1-4H
InChIKeyWXBIKJFITQQXDR-UHFFFAOYSA-N
XLogP4.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine (CID 106854896) is 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine is Clc1ncnc2cc(-c3ccoc3Br)sc12.
What is the InChIKey of 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is WXBIKJFITQQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClN2OS/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(12)14-4-13-6/h1-4H.
What are the key properties of 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine?
6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine has a molecular weight of 315.58 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 106854896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).