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

C15H17N5O2 — CID 24905288

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C15H17N5O2/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)9-4-5-11(22-3)10(21)6-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyKUUKOPMICNKRGE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.37
Rot. Bonds3

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

5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol (PubChem CID 24905288) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
PubChem CID24905288
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O
InChIInChI=1S/C15H17N5O2/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)9-4-5-11(22-3)10(21)6-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyKUUKOPMICNKRGE-UHFFFAOYSA-N
XLogP2.37
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-methoxyphenol?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol (CID 24905288) is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol is COc1ccc(-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-methoxyphenol?
The InChIKey is KUUKOPMICNKRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)9-4-5-11(22-3)10(21)6-9/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-methoxyphenol?
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol has a molecular weight of 299.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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-methoxyphenol is sourced from PubChem (CID 24905288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).