3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C14H15FN6 — CID 162386252

IUPAC3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)ncnc21
InChIInChI=1S/C14H15FN6/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-10(16)9(15)5-8/h3-7H,16H2,1-2H3,(H2,17,18,19)
InChIKeyUGOIWKXGZKJQRW-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.38
Rot. Bonds2

About 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162386252) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID162386252
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)ncnc21
InChIInChI=1S/C14H15FN6/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-10(16)9(15)5-8/h3-7H,16H2,1-2H3,(H2,17,18,19)
InChIKeyUGOIWKXGZKJQRW-UHFFFAOYSA-N
XLogP2.38
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 162386252) is 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UGOIWKXGZKJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-10(16)9(15)5-8/h3-7H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 286.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).