2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C19H20N6O — CID 86774098

IUPAC2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOCCn1ncc2c(NCCNc3cccc4ccccc34)ncnc21
InChIInChI=1S/C19H20N6O/c26-11-10-25-19-16(12-24-25)18(22-13-23-19)21-9-8-20-17-7-3-5-14-4-1-2-6-15(14)17/h1-7,12-13,20,26H,8-11H2,(H,21,22,23)
InChIKeyZUQRGNJNJNUIFZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.50
Rot. Bonds7

About 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774098) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774098
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOCCn1ncc2c(NCCNc3cccc4ccccc34)ncnc21
InChIInChI=1S/C19H20N6O/c26-11-10-25-19-16(12-24-25)18(22-13-23-19)21-9-8-20-17-7-3-5-14-4-1-2-6-15(14)17/h1-7,12-13,20,26H,8-11H2,(H,21,22,23)
InChIKeyZUQRGNJNJNUIFZ-UHFFFAOYSA-N
XLogP2.50
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774024
1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1069524
2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774356
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
N-ethyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63266231
1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 11371816
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942524
1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63276754
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 86774098) is 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is OCCn1ncc2c(NCCNc3cccc4ccccc34)ncnc21.
What is the InChIKey of 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is ZUQRGNJNJNUIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-11-10-25-19-16(12-24-25)18(22-13-23-19)21-9-8-20-17-7-3-5-14-4-1-2-6-15(14)17/h1-7,12-13,20,26H,8-11H2,(H,21,22,23).
What are the key properties of 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 348.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).