6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C11H7F2N5O — CID 54581691

IUPAC6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12
InChIInChI=1S/C11H7F2N5O/c12-5-1-2-8(7(13)3-5)19-11-15-4-6-9(14)17-18-10(6)16-11/h1-4H,(H3,14,15,16,17,18)
InChIKeyRUIZQALVVUTTNR-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.01
Rot. Bonds2

About 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 54581691) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID54581691
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12
InChIInChI=1S/C11H7F2N5O/c12-5-1-2-8(7(13)3-5)19-11-15-4-6-9(14)17-18-10(6)16-11/h1-4H,(H3,14,15,16,17,18)
InChIKeyRUIZQALVVUTTNR-UHFFFAOYSA-N
XLogP2.01
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-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 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 54581691) is 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine is Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12.
What is the InChIKey of 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is RUIZQALVVUTTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-5-1-2-8(7(13)3-5)19-11-15-4-6-9(14)17-18-10(6)16-11/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 263.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 54581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).