5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol

C12H11N5O — CID 24905285

IUPAC5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2[nH]nc3ncnc(N)c23)cc1O
InChIInChI=1S/C12H11N5O/c1-6-2-3-7(4-8(6)18)10-9-11(13)14-5-15-12(9)17-16-10/h2-5,18H,1H3,(H3,13,14,15,16,17)
InChIKeyZTWYTYUOHYGWSG-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.62
Rot. Bonds1

About 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol

5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (PubChem CID 24905285) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
PubChem CID24905285
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2[nH]nc3ncnc(N)c23)cc1O
InChIInChI=1S/C12H11N5O/c1-6-2-3-7(4-8(6)18)10-9-11(13)14-5-15-12(9)17-16-10/h2-5,18H,1H3,(H3,13,14,15,16,17)
InChIKeyZTWYTYUOHYGWSG-UHFFFAOYSA-N
XLogP1.62
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The IUPAC name of 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (CID 24905285) is 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.
What is the SMILES notation for 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The canonical SMILES for 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is Cc1ccc(-c2[nH]nc3ncnc(N)c23)cc1O.
What is the InChIKey of 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The InChIKey is ZTWYTYUOHYGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-6-2-3-7(4-8(6)18)10-9-11(13)14-5-15-12(9)17-16-10/h2-5,18H,1H3,(H3,13,14,15,16,17).
What are the key properties of 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol has a molecular weight of 241.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is sourced from PubChem (CID 24905285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).