8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane

C13H17N5O — CID 56865447

IUPAC8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1nc(N2CCC3(CCCO3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N5O/c1-2-13(19-7-1)3-5-18(6-4-13)12-10-11(15-8-14-10)16-9-17-12/h8-9H,1-7H2,(H,14,15,16,17)
InChIKeyYSEBNSINMZNVNV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds1

About 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane

8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56865447) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID56865447
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1nc(N2CCC3(CCCO3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N5O/c1-2-13(19-7-1)3-5-18(6-4-13)12-10-11(15-8-14-10)16-9-17-12/h8-9H,1-7H2,(H,14,15,16,17)
InChIKeyYSEBNSINMZNVNV-UHFFFAOYSA-N
XLogP1.50
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane (CID 56865447) is 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane is c1nc(N2CCC3(CCCO3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YSEBNSINMZNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-13(19-7-1)3-5-18(6-4-13)12-10-11(15-8-14-10)16-9-17-12/h8-9H,1-7H2,(H,14,15,16,17).
What are the key properties of 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane?
8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 259.31 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56865447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).