2-[(6-amino-7H-purin-2-yl)methoxy]ethanol

C8H11N5O2 — CID 20566205

IUPAC2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
SMILESNc1nc(COCCO)nc2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-4-10-6)13-5(12-7)3-15-2-1-14/h4,14H,1-3H2,(H3,9,10,11,12,13)
InChIKeyROLQUXWMUOQSTR-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol

2-[(6-amino-7H-purin-2-yl)methoxy]ethanol (PubChem CID 20566205) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
PubChem CID20566205
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
SMILESNc1nc(COCCO)nc2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-4-10-6)13-5(12-7)3-15-2-1-14/h4,14H,1-3H2,(H3,9,10,11,12,13)
InChIKeyROLQUXWMUOQSTR-UHFFFAOYSA-N
XLogP-0.56
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.56
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-[(6-amino-7H-purin-2-yl)methoxy]ethanol?
The IUPAC name of 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol (CID 20566205) is 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol?
The canonical SMILES for 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol is Nc1nc(COCCO)nc2nc[nH]c12.
What is the InChIKey of 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol?
The InChIKey is ROLQUXWMUOQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7-6-8(11-4-10-6)13-5(12-7)3-15-2-1-14/h4,14H,1-3H2,(H3,9,10,11,12,13).
What are the key properties of 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol?
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol has a molecular weight of 209.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-2-yl)methoxy]ethanol is sourced from PubChem (CID 20566205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).