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

C12H11N5O — CID 123607458

IUPAC[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
SMILESNc1ncnc2n[nH]c(-c3ccc(CO)cc3)c12
InChIInChI=1S/C12H11N5O/c13-11-9-10(16-17-12(9)15-6-14-11)8-3-1-7(5-18)2-4-8/h1-4,6,18H,5H2,(H3,13,14,15,16,17)
InChIKeyFKCBEVINXOHFPT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.09
Rot. Bonds2

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

[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol (PubChem CID 123607458) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
PubChem CID123607458
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
SMILESNc1ncnc2n[nH]c(-c3ccc(CO)cc3)c12
InChIInChI=1S/C12H11N5O/c13-11-9-10(16-17-12(9)15-6-14-11)8-3-1-7(5-18)2-4-8/h1-4,6,18H,5H2,(H3,13,14,15,16,17)
InChIKeyFKCBEVINXOHFPT-UHFFFAOYSA-N
XLogP1.09
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The IUPAC name of [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol (CID 123607458) is [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The canonical SMILES for [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol is Nc1ncnc2n[nH]c(-c3ccc(CO)cc3)c12.
What is the InChIKey of [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The InChIKey is FKCBEVINXOHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-11-9-10(16-17-12(9)15-6-14-11)8-3-1-7(5-18)2-4-8/h1-4,6,18H,5H2,(H3,13,14,15,16,17).
What are the key properties of [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol has a molecular weight of 241.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol is sourced from PubChem (CID 123607458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).