5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol

C10H15N5O2 — CID 114216836

IUPAC5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
SMILESNc1nc(OCCCCCO)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c11-10-14-8-7(12-6-13-8)9(15-10)17-5-3-1-2-4-16/h6,16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyWFHASYPDOIFQTK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.48
Rot. Bonds6

About 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol

5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol (PubChem CID 114216836) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
PubChem CID114216836
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
SMILESNc1nc(OCCCCCO)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c11-10-14-8-7(12-6-13-8)9(15-10)17-5-3-1-2-4-16/h6,16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyWFHASYPDOIFQTK-UHFFFAOYSA-N
XLogP0.48
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.48
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 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol?
The IUPAC name of 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol (CID 114216836) is 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol.
What is the SMILES notation for 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol?
The canonical SMILES for 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol is Nc1nc(OCCCCCO)c2[nH]cnc2n1.
What is the InChIKey of 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol?
The InChIKey is WFHASYPDOIFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-10-14-8-7(12-6-13-8)9(15-10)17-5-3-1-2-4-16/h6,16H,1-5H2,(H3,11,12,13,14,15).
What are the key properties of 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol?
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol is sourced from PubChem (CID 114216836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).