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

C14H15N5O — CID 135750268

IUPAC4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)n1nc(-c2ccc(O)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-3-5-10(20)6-4-9/h3-8,20H,1-2H3,(H2,15,16,17)
InChIKeyKLQFKOVDEHUNHU-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds2

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

4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (PubChem CID 135750268) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
PubChem CID135750268
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)n1nc(-c2ccc(O)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-3-5-10(20)6-4-9/h3-8,20H,1-2H3,(H2,15,16,17)
InChIKeyKLQFKOVDEHUNHU-UHFFFAOYSA-N
XLogP2.36
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pki-166
CID 6918403
Torkinib
CID 135565635
Ibrutinib N-desacryloyl impurity
CID 58223272
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
4-((6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
Pci 29732
CID 22347110
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
4-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CID 135402835

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (CID 135750268) is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.
What is the SMILES notation for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The canonical SMILES for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is CC(C)n1nc(-c2ccc(O)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The InChIKey is KLQFKOVDEHUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-3-5-10(20)6-4-9/h3-8,20H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol has a molecular weight of 269.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 135750268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).