9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine

C18H27N7O — CID 130418956

IUPAC9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CCC3(CCNCC3)C2)O1
InChIInChI=1S/C18H27N7O/c19-16-15-17(22-11-21-16)25(12-23-15)14-2-1-13(26-14)9-24-8-5-18(10-24)3-6-20-7-4-18/h11-14,20H,1-10H2,(H2,19,21,22)
InChIKeyFAKXNBWMTKRHLW-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.16
Rot. Bonds3

About 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine

9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine (PubChem CID 130418956) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
PubChem CID130418956
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(CN2CCC3(CCNCC3)C2)O1
InChIInChI=1S/C18H27N7O/c19-16-15-17(22-11-21-16)25(12-23-15)14-2-1-13(26-14)9-24-8-5-18(10-24)3-6-20-7-4-18/h11-14,20H,1-10H2,(H2,19,21,22)
InChIKeyFAKXNBWMTKRHLW-UHFFFAOYSA-N
XLogP1.16
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122265
9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365063
9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365104
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
N-[9-[5-(2,6-diazaspiro[3.4]octan-6-ylmethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 156542768
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine (CID 130418956) is 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1CCC(CN2CCC3(CCNCC3)C2)O1.
What is the InChIKey of 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is FAKXNBWMTKRHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c19-16-15-17(22-11-21-16)25(12-23-15)14-2-1-13(26-14)9-24-8-5-18(10-24)3-6-20-7-4-18/h11-14,20H,1-10H2,(H2,19,21,22).
What are the key properties of 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine?
9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 357.46 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 130418956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).