6-(5-azaspiro[2.5]octan-5-yl)-7H-purine

C12H15N5 — CID 133481023

IUPAC6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
SMILESc1nc(N2CCCC3(CC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N5/c1-2-12(3-4-12)6-17(5-1)11-9-10(14-7-13-9)15-8-16-11/h7-8H,1-6H2,(H,13,14,15,16)
InChIKeyNAVMTUMHWVQSOW-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.73
Rot. Bonds1

About 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine

6-(5-azaspiro[2.5]octan-5-yl)-7H-purine (PubChem CID 133481023) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine.

Molecular Properties

Compound Name6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
PubChem CID133481023
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
SMILESc1nc(N2CCCC3(CC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N5/c1-2-12(3-4-12)6-17(5-1)11-9-10(14-7-13-9)15-8-16-11/h7-8H,1-6H2,(H,13,14,15,16)
InChIKeyNAVMTUMHWVQSOW-UHFFFAOYSA-N
XLogP1.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine?
The IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine (CID 133481023) is 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine.
What is the SMILES notation for 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine?
The canonical SMILES for 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine is c1nc(N2CCCC3(CC3)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine?
The InChIKey is NAVMTUMHWVQSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-12(3-4-12)6-17(5-1)11-9-10(14-7-13-9)15-8-16-11/h7-8H,1-6H2,(H,13,14,15,16).
What are the key properties of 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine?
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine has a molecular weight of 229.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.5]octan-5-yl)-7H-purine is sourced from PubChem (CID 133481023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).