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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Related Compounds

6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 70789255
2-[2-(1H-imidazol-5-yl)ethyl]-8-(7H-purin-6-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72852506
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
CID 95222493
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
CID 97274714
3-[(2,4-difluorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxylic acid
CID 56872262
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
CID 94022802

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).