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

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Related Compounds

4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
N-[furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 16336530
4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 164609616
4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole
CID 178299900
2-((S)-1-Furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-6-methylsulfanyl-pyrimidin-4-ylamine
CID 475295
N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 21976430
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
CID 23020440
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
CID 23020465
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
CID 129228763
2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
CID 135218258
5-fluoro-3-[4-(furan-2-yl)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141482227

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).