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

C15H17N5O — CID 24905344

IUPAC[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
SMILESCC(C)n1nc(-c2cccc(CO)c2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-5-3-4-10(6-11)7-21/h3-6,8-9,21H,7H2,1-2H3,(H2,16,17,18)
InChIKeyONSFTNRYQCNAAD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.15
Rot. Bonds3

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

[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol (PubChem CID 24905344) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
PubChem CID24905344
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
SMILESCC(C)n1nc(-c2cccc(CO)c2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-5-3-4-10(6-11)7-21/h3-6,8-9,21H,7H2,1-2H3,(H2,16,17,18)
InChIKeyONSFTNRYQCNAAD-UHFFFAOYSA-N
XLogP2.15
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bemitradine
CID 55784
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53345582
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
(1S,2R)-1-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15667134
1-Tert-butyl-3-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 24866469
2-(3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile
CID 24905167
1-isopropyl-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905168
4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile
CID 24905240

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The IUPAC name of [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol (CID 24905344) is [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The canonical SMILES for [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol is CC(C)n1nc(-c2cccc(CO)c2)c2c(N)ncnc21.
What is the InChIKey of [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
The InChIKey is ONSFTNRYQCNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-5-3-4-10(6-11)7-21/h3-6,8-9,21H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol?
[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol has a molecular weight of 283.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol is sourced from PubChem (CID 24905344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).