1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5O — CID 59633488

IUPAC1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Oc2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H16FN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-9(16)5-7-10/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyNRGKJEBTQWAECY-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.09
Rot. Bonds2

About 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633488) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633488
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Oc2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H16FN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-9(16)5-7-10/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyNRGKJEBTQWAECY-UHFFFAOYSA-N
XLogP3.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (CID 59633488) is 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(Oc2ccc(F)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NRGKJEBTQWAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-9(16)5-7-10/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).