2-[2-(7H-purin-6-ylamino)ethoxy]ethanol

C9H13N5O2 — CID 2155050

IUPAC2-[2-(7H-purin-6-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2/c15-2-4-16-3-1-10-8-7-9(12-5-11-7)14-6-13-8/h5-6,15H,1-4H2,(H2,10,11,12,13,14)
InChIKeyUYXHZMSJRMCVFC-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.23
Rot. Bonds6

About 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol

2-[2-(7H-purin-6-ylamino)ethoxy]ethanol (PubChem CID 2155050) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(7H-purin-6-ylamino)ethoxy]ethanol
PubChem CID2155050
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-(7H-purin-6-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2/c15-2-4-16-3-1-10-8-7-9(12-5-11-7)14-6-13-8/h5-6,15H,1-4H2,(H2,10,11,12,13,14)
InChIKeyUYXHZMSJRMCVFC-UHFFFAOYSA-N
XLogP-0.23
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol (CID 2155050) is 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol is OCCOCCNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol?
The InChIKey is UYXHZMSJRMCVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-2-4-16-3-1-10-8-7-9(12-5-11-7)14-6-13-8/h5-6,15H,1-4H2,(H2,10,11,12,13,14).
What are the key properties of 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol?
2-[2-(7H-purin-6-ylamino)ethoxy]ethanol has a molecular weight of 223.24 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7H-purin-6-ylamino)ethoxy]ethanol is sourced from PubChem (CID 2155050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).