2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol

C11H9N5O — CID 135947977

IUPAC2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESNc1ncnc2n[nH]c(-c3ccccc3O)c12
InChIInChI=1S/C11H9N5O/c12-10-8-9(6-3-1-2-4-7(6)17)15-16-11(8)14-5-13-10/h1-5,17H,(H3,12,13,14,15,16)
InChIKeySPCDTCWCGHTEOV-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.31
Rot. Bonds1

About 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol

2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol (PubChem CID 135947977) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
PubChem CID135947977
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESNc1ncnc2n[nH]c(-c3ccccc3O)c12
InChIInChI=1S/C11H9N5O/c12-10-8-9(6-3-1-2-4-7(6)17)15-16-11(8)14-5-13-10/h1-5,17H,(H3,12,13,14,15,16)
InChIKeySPCDTCWCGHTEOV-UHFFFAOYSA-N
XLogP1.31
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The IUPAC name of 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol (CID 135947977) is 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol.
What is the SMILES notation for 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The canonical SMILES for 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol is Nc1ncnc2n[nH]c(-c3ccccc3O)c12.
What is the InChIKey of 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The InChIKey is SPCDTCWCGHTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-10-8-9(6-3-1-2-4-7(6)17)15-16-11(8)14-5-13-10/h1-5,17H,(H3,12,13,14,15,16).
What are the key properties of 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol?
2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol has a molecular weight of 227.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 135947977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).