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

C14H20N6 — CID 70789255

IUPAC9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1nc(N2CCC3(CCCNC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
InChIKeyZXMGQAIKNOIWHC-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.32
Rot. Bonds1

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

9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane (PubChem CID 70789255) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
PubChem CID70789255
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1nc(N2CCC3(CCCNC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
InChIKeyZXMGQAIKNOIWHC-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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Related Compounds

(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 95886653
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
2-benzyl-8-(7H-purin-6-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70730559
9-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 175764733
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380

Frequently Asked Questions

What is the IUPAC name of 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane (CID 70789255) is 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane is c1nc(N2CCC3(CCCNC3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is ZXMGQAIKNOIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)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 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane?
9-(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 9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 70789255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).