6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine

C11H13N5 — CID 166304856

IUPAC6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
SMILESc1nc(N2CC3(CCC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H13N5/c1-2-11(3-1)4-16(5-11)10-8-9(13-6-12-8)14-7-15-10/h6-7H,1-5H2,(H,12,13,14,15)
InChIKeyKRYVRDXUOFSEFU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.34
Rot. Bonds1

About 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine

6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine (PubChem CID 166304856) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine.

Molecular Properties

Compound Name6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
PubChem CID166304856
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
SMILESc1nc(N2CC3(CCC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H13N5/c1-2-11(3-1)4-16(5-11)10-8-9(13-6-12-8)14-7-15-10/h6-7H,1-5H2,(H,12,13,14,15)
InChIKeyKRYVRDXUOFSEFU-UHFFFAOYSA-N
XLogP1.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
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CID 70789255
3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol
CID 99837279
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
2-[2-(1H-imidazol-5-yl)ethyl]-8-(7H-purin-6-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72852506
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 95886653

Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine?
The IUPAC name of 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine (CID 166304856) is 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine.
What is the SMILES notation for 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine?
The canonical SMILES for 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine is c1nc(N2CC3(CCC3)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine?
The InChIKey is KRYVRDXUOFSEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-11(3-1)4-16(5-11)10-8-9(13-6-12-8)14-7-15-10/h6-7H,1-5H2,(H,12,13,14,15).
What are the key properties of 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine?
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine has a molecular weight of 215.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine is sourced from PubChem (CID 166304856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).