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

C15H17N5O — CID 24905287

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)10-5-4-9(3)11(21)6-10/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyBTIKYUUNPGWLNG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds2

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

5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (PubChem CID 24905287) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
PubChem CID24905287
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)10-5-4-9(3)11(21)6-10/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyBTIKYUUNPGWLNG-UHFFFAOYSA-N
XLogP2.67
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
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-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (CID 24905287) is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is Cc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O.
What is the InChIKey of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The InChIKey is BTIKYUUNPGWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)10-5-4-9(3)11(21)6-10/h4-8,21H,1-3H3,(H2,16,17,18).
What are the key properties of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol has a molecular weight of 283.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is sourced from PubChem (CID 24905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).