1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C8H11N5S — CID 20727886

IUPAC1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCCn1ncc2c(N)ncnc21
InChIInChI=1S/C8H11N5S/c1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFBZASTLPEZRKPQ-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 20727886) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID20727886
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCCn1ncc2c(N)ncnc21
InChIInChI=1S/C8H11N5S/c1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFBZASTLPEZRKPQ-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 20727886) is 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CSCCn1ncc2c(N)ncnc21.
What is the InChIKey of 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FBZASTLPEZRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 209.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20727886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).