4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C10H9N5OS — CID 155807183

IUPAC4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCSc1nc(-c2ccco2)c2c(N)[nH]nc2n1
InChIInChI=1S/C10H9N5OS/c1-17-10-12-7(5-3-2-4-16-5)6-8(11)14-15-9(6)13-10/h2-4H,1H3,(H3,11,12,13,14,15)
InChIKeyGTNYUCKUBOFNDD-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.92
Rot. Bonds2

About 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 155807183) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID155807183
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCSc1nc(-c2ccco2)c2c(N)[nH]nc2n1
InChIInChI=1S/C10H9N5OS/c1-17-10-12-7(5-3-2-4-16-5)6-8(11)14-15-9(6)13-10/h2-4H,1H3,(H3,11,12,13,14,15)
InChIKeyGTNYUCKUBOFNDD-UHFFFAOYSA-N
XLogP1.92
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 155807183) is 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is CSc1nc(-c2ccco2)c2c(N)[nH]nc2n1.
What is the InChIKey of 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is GTNYUCKUBOFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-17-10-12-7(5-3-2-4-16-5)6-8(11)14-15-9(6)13-10/h2-4H,1H3,(H3,11,12,13,14,15).
What are the key properties of 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 247.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 155807183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).