2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol

C15H17N5O — CID 42637848

IUPAC2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
SMILESNc1ncnc2c1nc(CCO)n2CCc1ccccc1
InChIInChI=1S/C15H17N5O/c16-14-13-15(18-10-17-14)20(12(19-13)7-9-21)8-6-11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,16,17,18)
InChIKeyJFXKFFSJBCWYFZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.19
Rot. Bonds5

About 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol

2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol (PubChem CID 42637848) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol.

Molecular Properties

Compound Name2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
PubChem CID42637848
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
SMILESNc1ncnc2c1nc(CCO)n2CCc1ccccc1
InChIInChI=1S/C15H17N5O/c16-14-13-15(18-10-17-14)20(12(19-13)7-9-21)8-6-11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,16,17,18)
InChIKeyJFXKFFSJBCWYFZ-UHFFFAOYSA-N
XLogP1.19
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22943282
6-amino-9-benzylpurine-8-sulfonate
CID 3633533
(1R,2R)-1-[(3R,4R)-9-amino-4-hydroxy-1-(2-phenylethyl)-3,4-dihydropurino[8,9-c][1,2,4]oxadiazin-3-yl]-2-methylpropane-1,3-diol
CID 142117905
[2-[4-[(6-amino-8-butylpurin-9-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67902430
2-(6-amino-9-benzylpurin-8-yl)sulfanylacetate
CID 3633535
N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
CID 91927535
4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
CID 10569967
9-benzyl-8-(4-methoxyphenyl)purin-6-amine
CID 102024707
2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
CID 7069656
2-[6-amino-8-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 4599830
7-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79288299
9-benzyl-8-(2-methoxyphenyl)purin-6-amine
CID 102480817

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol?
The IUPAC name of 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol (CID 42637848) is 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol.
What is the SMILES notation for 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol?
The canonical SMILES for 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol is Nc1ncnc2c1nc(CCO)n2CCc1ccccc1.
What is the InChIKey of 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol?
The InChIKey is JFXKFFSJBCWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14-13-15(18-10-17-14)20(12(19-13)7-9-21)8-6-11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,16,17,18).
What are the key properties of 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol?
2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol has a molecular weight of 283.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol is sourced from PubChem (CID 42637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).