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

C15H16FN5 — CID 1489656

IUPAC1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
InChIKeySIPDIAWCEGNHFS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.97
Rot. Bonds1

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

1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1489656) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1489656
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
InChIKeySIPDIAWCEGNHFS-UHFFFAOYSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1489656) is 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SIPDIAWCEGNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1489656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).