2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane

C14H20N6 — CID 70789256

IUPAC2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1nc(N2CCCC3(CCNCC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-2-14(3-5-15-6-4-14)8-20(7-1)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
InChIKeyNQWBGODZSPAAMM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.32
Rot. Bonds1

About 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane

2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane (PubChem CID 70789256) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
PubChem CID70789256
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1nc(N2CCCC3(CCNCC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-2-14(3-5-15-6-4-14)8-20(7-1)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
InChIKeyNQWBGODZSPAAMM-UHFFFAOYSA-N
XLogP1.32
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane (CID 70789256) is 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane is c1nc(N2CCCC3(CCNCC3)C2)c2[nH]cnc2n1.
What is the InChIKey of 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is NQWBGODZSPAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-14(3-5-15-6-4-14)8-20(7-1)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19).
What are the key properties of 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 272.36 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 70789256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).