4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C14H9N3OS2 — CID 127034649

IUPAC4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1coc(-c2ncnc3[nH]cc(Sc4cccs4)c23)c1
InChIInChI=1S/C14H9N3OS2/c1-3-9(18-5-1)13-12-10(20-11-4-2-6-19-11)7-15-14(12)17-8-16-13/h1-8H,(H,15,16,17)
InChIKeyLITMOTIYEUJTBW-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.43
Rot. Bonds3

About 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 127034649) has the molecular formula C14H9N3OS2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID127034649
Molecular FormulaC14H9N3OS2
Molecular Weight299.38 g/mol
Exact Mass299.02
IUPAC Name4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1coc(-c2ncnc3[nH]cc(Sc4cccs4)c23)c1
InChIInChI=1S/C14H9N3OS2/c1-3-9(18-5-1)13-12-10(20-11-4-2-6-19-11)7-15-14(12)17-8-16-13/h1-8H,(H,15,16,17)
InChIKeyLITMOTIYEUJTBW-UHFFFAOYSA-N
XLogP4.43
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 127034649) is 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is c1coc(-c2ncnc3[nH]cc(Sc4cccs4)c23)c1.
What is the InChIKey of 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LITMOTIYEUJTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS2/c1-3-9(18-5-1)13-12-10(20-11-4-2-6-19-11)7-15-14(12)17-8-16-13/h1-8H,(H,15,16,17).
What are the key properties of 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 127034649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).