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

C14H14BrN5O — CID 24905145

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
SMILESCC(C)n1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14BrN5O/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)
InChIKeyZLMVXCGWUJXFNP-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.12
Rot. Bonds2

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

5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol (PubChem CID 24905145) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
PubChem CID24905145
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
SMILESCC(C)n1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H14BrN5O/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)
InChIKeyZLMVXCGWUJXFNP-UHFFFAOYSA-N
XLogP3.12
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.12
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-bromophenol?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol (CID 24905145) is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol is CC(C)n1nc(-c2ccc(Br)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-bromophenol?
The InChIKey is ZLMVXCGWUJXFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/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-bromophenol?
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol has a molecular weight of 348.20 g/mol, XLogP of 3.12, 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-bromophenol is sourced from PubChem (CID 24905145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).