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

C16H19N5O — CID 24905289

IUPAC5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCCC(C)n1nc(-c2ccc(C)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O/c1-4-10(3)21-16-13(15(17)18-8-19-16)14(20-21)11-6-5-9(2)12(22)7-11/h5-8,10,22H,4H2,1-3H3,(H2,17,18,19)
InChIKeyYKDLGDBIORZVLP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.06
Rot. Bonds3

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

5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (PubChem CID 24905289) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
PubChem CID24905289
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
SMILESCCC(C)n1nc(-c2ccc(C)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O/c1-4-10(3)21-16-13(15(17)18-8-19-16)14(20-21)11-6-5-9(2)12(22)7-11/h5-8,10,22H,4H2,1-3H3,(H2,17,18,19)
InChIKeyYKDLGDBIORZVLP-UHFFFAOYSA-N
XLogP3.06
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.06
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-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The IUPAC name of 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol (CID 24905289) is 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol.
What is the SMILES notation for 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The canonical SMILES for 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is CCC(C)n1nc(-c2ccc(C)c(O)c2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
The InChIKey is YKDLGDBIORZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-4-10(3)21-16-13(15(17)18-8-19-16)14(20-21)11-6-5-9(2)12(22)7-11/h5-8,10,22H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol?
5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol has a molecular weight of 297.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol is sourced from PubChem (CID 24905289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).