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

C9H12FN5 — CID 155185173

IUPAC1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(F)c2c(N)ncnc21
InChIInChI=1S/C9H12FN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKeyBOIRYNDLNPWHMU-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.30
Rot. Bonds

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

1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 155185173) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID155185173
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(F)c2c(N)ncnc21
InChIInChI=1S/C9H12FN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKeyBOIRYNDLNPWHMU-UHFFFAOYSA-N
XLogP1.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-fluoropyrazolo[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-fluoropyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine (CID 155185173) is 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(F)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BOIRYNDLNPWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 209.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoropyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155185173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).