2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol

C15H21N5O2 — CID 19417947

IUPAC2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol
SMILESNc1nc(C2CC3CCC2C3)nc2c1ncn2COCCO
InChIInChI=1S/C15H21N5O2/c16-13-12-15(20(7-17-12)8-22-4-3-21)19-14(18-13)11-6-9-1-2-10(11)5-9/h7,9-11,21H,1-6,8H2,(H2,16,18,19)
InChIKeyPCCUHRSVUIDEFY-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.28
Rot. Bonds5

About 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol

2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol (PubChem CID 19417947) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol
PubChem CID19417947
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol
SMILESNc1nc(C2CC3CCC2C3)nc2c1ncn2COCCO
InChIInChI=1S/C15H21N5O2/c16-13-12-15(20(7-17-12)8-22-4-3-21)19-14(18-13)11-6-9-1-2-10(11)5-9/h7,9-11,21H,1-6,8H2,(H2,16,18,19)
InChIKeyPCCUHRSVUIDEFY-UHFFFAOYSA-N
XLogP1.28
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol?
The IUPAC name of 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol (CID 19417947) is 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol?
The canonical SMILES for 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol is Nc1nc(C2CC3CCC2C3)nc2c1ncn2COCCO.
What is the InChIKey of 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol?
The InChIKey is PCCUHRSVUIDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-13-12-15(20(7-17-12)8-22-4-3-21)19-14(18-13)11-6-9-1-2-10(11)5-9/h7,9-11,21H,1-6,8H2,(H2,16,18,19).
What are the key properties of 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol?
2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol has a molecular weight of 303.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol is sourced from PubChem (CID 19417947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).