5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol

C13H13N5O — CID 24905290

IUPAC5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19)11-10-12(14)15-6-16-13(10)18(2)17-11/h3-6,19H,1-2H3,(H2,14,15,16)
InChIKeyGRWJFKQBVQNWQW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.63
Rot. Bonds1

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (PubChem CID 24905290) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
PubChem CID24905290
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19)11-10-12(14)15-6-16-13(10)18(2)17-11/h3-6,19H,1-2H3,(H2,14,15,16)
InChIKeyGRWJFKQBVQNWQW-UHFFFAOYSA-N
XLogP1.63
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (CID 24905290) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.
What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O.
What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The InChIKey is GRWJFKQBVQNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19)11-10-12(14)15-6-16-13(10)18(2)17-11/h3-6,19H,1-2H3,(H2,14,15,16).
What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol has a molecular weight of 255.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is sourced from PubChem (CID 24905290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).