7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine

C10H6BrN3S — CID 119094687

IUPAC7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESBrc1c(-c2cccs2)[nH]c2cncnc12
InChIInChI=1S/C10H6BrN3S/c11-8-9-6(4-12-5-13-9)14-10(8)7-2-1-3-15-7/h1-5,14H
InChIKeyWTKWNGXBUIJTOH-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.45
Rot. Bonds1

About 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine

7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 119094687) has the molecular formula C10H6BrN3S and a molecular weight of 280.15 g/mol. Its IUPAC name is 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID119094687
Molecular FormulaC10H6BrN3S
Molecular Weight280.15 g/mol
Exact Mass278.95
IUPAC Name7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESBrc1c(-c2cccs2)[nH]c2cncnc12
InChIInChI=1S/C10H6BrN3S/c11-8-9-6(4-12-5-13-9)14-10(8)7-2-1-3-15-7/h1-5,14H
InChIKeyWTKWNGXBUIJTOH-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 119094687) is 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine is Brc1c(-c2cccs2)[nH]c2cncnc12.
What is the InChIKey of 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is WTKWNGXBUIJTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3S/c11-8-9-6(4-12-5-13-9)14-10(8)7-2-1-3-15-7/h1-5,14H.
What are the key properties of 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 280.15 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 119094687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).