5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C10H8N4S2 — CID 127037303

IUPAC5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C10H8N4S2/c11-9-8-6(16-7-2-1-3-15-7)4-12-10(8)14-5-13-9/h1-5H,(H3,11,12,13,14)
InChIKeyAQDADBVEZQGHTL-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.75
Rot. Bonds2

About 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 127037303) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID127037303
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(Sc3cccs3)c12
InChIInChI=1S/C10H8N4S2/c11-9-8-6(16-7-2-1-3-15-7)4-12-10(8)14-5-13-9/h1-5H,(H3,11,12,13,14)
InChIKeyAQDADBVEZQGHTL-UHFFFAOYSA-N
XLogP2.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 127037303) is 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]cc(Sc3cccs3)c12.
What is the InChIKey of 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AQDADBVEZQGHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c11-9-8-6(16-7-2-1-3-15-7)4-12-10(8)14-5-13-9/h1-5H,(H3,11,12,13,14).
What are the key properties of 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 248.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127037303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).