1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C13H15N5S — CID 24866969

IUPAC1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccsc2)c2c(N)ncnc21
InChIInChI=1S/C13H15N5S/c1-13(2,3)18-12-9(11(14)15-7-16-12)10(17-18)8-4-5-19-6-8/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyLLNOCPPGXDEJCJ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.89
Rot. Bonds1

About 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24866969) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24866969
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccsc2)c2c(N)ncnc21
InChIInChI=1S/C13H15N5S/c1-13(2,3)18-12-9(11(14)15-7-16-12)10(17-18)8-4-5-19-6-8/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyLLNOCPPGXDEJCJ-UHFFFAOYSA-N
XLogP2.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24866969) is 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2ccsc2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LLNOCPPGXDEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-13(2,3)18-12-9(11(14)15-7-16-12)10(17-18)8-4-5-19-6-8/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 273.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24866969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).