2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol

C14H16N6O — CID 24905252

IUPAC2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)n1nc(-c2ccc(N)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,15H2,1-2H3,(H2,16,17,18)
InChIKeyMPUATQFVQOUAJF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol

2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (PubChem CID 24905252) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
PubChem CID24905252
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)n1nc(-c2ccc(N)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,15H2,1-2H3,(H2,16,17,18)
InChIKeyMPUATQFVQOUAJF-UHFFFAOYSA-N
XLogP1.94
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol 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 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The IUPAC name of 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (CID 24905252) is 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.
What is the SMILES notation for 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The canonical SMILES for 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is CC(C)n1nc(-c2ccc(N)c(O)c2)c2c(N)ncnc21.
What is the InChIKey of 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The InChIKey is MPUATQFVQOUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol has a molecular weight of 284.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 24905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).