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

C14H14ClN5O — CID 24905295

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
SMILESCC(C)n1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14ClN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyZBTLTVIYBHYEHL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.02
Rot. Bonds2

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

5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol (PubChem CID 24905295) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
PubChem CID24905295
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
SMILESCC(C)n1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14ClN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18)
InChIKeyZBTLTVIYBHYEHL-UHFFFAOYSA-N
XLogP3.02
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.02
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-chlorophenol?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol (CID 24905295) is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol is CC(C)n1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
The InChIKey is ZBTLTVIYBHYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol?
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol has a molecular weight of 303.75 g/mol, XLogP of 3.02, 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-chlorophenol is sourced from PubChem (CID 24905295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).