2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol

C16H19N5O3 — CID 68844363

IUPAC2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol
SMILESCOCCOc1nc(N)c2ncn(-c3ccccc3CCO)c2n1
InChIInChI=1S/C16H19N5O3/c1-23-8-9-24-16-19-14(17)13-15(20-16)21(10-18-13)12-5-3-2-4-11(12)6-7-22/h2-5,10,22H,6-9H2,1H3,(H2,17,19,20)
InChIKeyBBKWEZLSYHGCEH-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.96
Rot. Bonds7

About 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol

2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol (PubChem CID 68844363) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol
PubChem CID68844363
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol
SMILESCOCCOc1nc(N)c2ncn(-c3ccccc3CCO)c2n1
InChIInChI=1S/C16H19N5O3/c1-23-8-9-24-16-19-14(17)13-15(20-16)21(10-18-13)12-5-3-2-4-11(12)6-7-22/h2-5,10,22H,6-9H2,1H3,(H2,17,19,20)
InChIKeyBBKWEZLSYHGCEH-UHFFFAOYSA-N
XLogP0.96
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2-(2-methoxyethoxy)-9-methylpurin-6-amine
CID 143018174
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714
9-ethyl-2-(2-phenylethoxy)purin-6-amine
CID 18440387
methyl 2-[3-[[6-amino-2-(3-hydroxypropoxy)purin-9-yl]methyl]phenyl]acetate
CID 23158758
(3R,4S,5R)-2-[6-amino-2-[2-(2-methoxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876732
9-[[4-(diethylphosphanylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)purin-6-amine
CID 141447965
9-benzyl-2-(2-methoxyethoxy)-8-(methylideneamino)purin-6-amine
CID 71154032
3-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoic acid;iodomethane;methyl 3-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate
CID 162189077
[3-[(6-amino-2-butoxypurin-9-yl)methyl]-4-methoxyphenyl]methanol
CID 23158716
methyl 2-[3-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]acetate
CID 23079486
1-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]ethoxy]ethyl-butan-2-yloxyphosphinic acid
CID 87607118
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
CID 143605693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol (CID 68844363) is 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol is COCCOc1nc(N)c2ncn(-c3ccccc3CCO)c2n1.
What is the InChIKey of 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol?
The InChIKey is BBKWEZLSYHGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-23-8-9-24-16-19-14(17)13-15(20-16)21(10-18-13)12-5-3-2-4-11(12)6-7-22/h2-5,10,22H,6-9H2,1H3,(H2,17,19,20).
What are the key properties of 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol?
2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol has a molecular weight of 329.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-amino-2-(2-methoxyethoxy)purin-9-yl]phenyl]ethanol is sourced from PubChem (CID 68844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).