3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C15H11N5S — CID 130434539

IUPAC3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]nc(Sc3cccc4ccccc34)c12
InChIInChI=1S/C15H11N5S/c16-13-12-14(18-8-17-13)19-20-15(12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H3,16,17,18,19,20)
InChIKeyFSMBTCCTKFCFEG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.24
Rot. Bonds2

About 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 130434539) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID130434539
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]nc(Sc3cccc4ccccc34)c12
InChIInChI=1S/C15H11N5S/c16-13-12-14(18-8-17-13)19-20-15(12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H3,16,17,18,19,20)
InChIKeyFSMBTCCTKFCFEG-UHFFFAOYSA-N
XLogP3.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 130434539) is 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2[nH]nc(Sc3cccc4ccccc34)c12.
What is the InChIKey of 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FSMBTCCTKFCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c16-13-12-14(18-8-17-13)19-20-15(12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H3,16,17,18,19,20).
What are the key properties of 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 293.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130434539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).