2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol

C9H14N6O2 — CID 143078293

IUPAC2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
SMILESNc1nc(N)c2ncn(CCOCCO)c2n1
InChIInChI=1S/C9H14N6O2/c10-7-6-8(14-9(11)13-7)15(5-12-6)1-3-17-4-2-16/h5,16H,1-4H2,(H4,10,11,13,14)
InChIKeyNZRJMALWGJLKQF-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.00
Rot. Bonds5

About 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol

2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol (PubChem CID 143078293) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
PubChem CID143078293
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
SMILESNc1nc(N)c2ncn(CCOCCO)c2n1
InChIInChI=1S/C9H14N6O2/c10-7-6-8(14-9(11)13-7)15(5-12-6)1-3-17-4-2-16/h5,16H,1-4H2,(H4,10,11,13,14)
InChIKeyNZRJMALWGJLKQF-UHFFFAOYSA-N
XLogP-1.00
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
CID 67801467
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 155689585
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
CID 10688070
2-[(6-amino-2-methylsulfanylpurin-9-yl)methoxy]ethanol
CID 14035870
[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
CID 6474330
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
[2-[2-(2,6-diaminopurin-9-yl)ethoxy]-4,4,4-trifluorobutan-2-yl]phosphonic acid
CID 70272477
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol (CID 143078293) is 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol is Nc1nc(N)c2ncn(CCOCCO)c2n1.
What is the InChIKey of 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol?
The InChIKey is NZRJMALWGJLKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c10-7-6-8(14-9(11)13-7)15(5-12-6)1-3-17-4-2-16/h5,16H,1-4H2,(H4,10,11,13,14).
What are the key properties of 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol?
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol has a molecular weight of 238.25 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol is sourced from PubChem (CID 143078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).