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

C15H17N5O — CID 135947973

IUPAC4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)11-5-4-10(21)6-9(11)3/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyFAWGCSGOLCHXBH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds2

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

4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol (PubChem CID 135947973) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol
PubChem CID135947973
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)11-5-4-10(21)6-9(11)3/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyFAWGCSGOLCHXBH-UHFFFAOYSA-N
XLogP2.67
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Torkinib
CID 135565635
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
Pci 29732
CID 22347110
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
3-(6-Methoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850407
3-(6-Ethoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850435
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905145
3-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381237
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-(1-Methylethyl)-3-[6-(phenylMethoxy)-2-naphthalenyl]-
CID 53344910
3-(6-Allyloxy-2-naphthyl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344911
3-(6-Butoxy-2-naphthyl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344912

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol?
The IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol (CID 135947973) is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol.
What is the SMILES notation for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol?
The canonical SMILES for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol is Cc1cc(O)ccc1-c1nn(C(C)C)c2ncnc(N)c12.
What is the InChIKey of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol?
The InChIKey is FAWGCSGOLCHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)11-5-4-10(21)6-9(11)3/h4-8,21H,1-3H3,(H2,16,17,18).
What are the key properties of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol?
4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenol has a molecular weight of 283.33 g/mol, XLogP of 2.67, 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)-3-methylphenol is sourced from PubChem (CID 135947973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).