6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine

C14H20N6 — CID 104623737

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
SMILESNc1nc(N2CCC3(CCCC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c15-13-18-11-10(16-9-17-11)12(19-13)20-7-5-14(6-8-20)3-1-2-4-14/h9H,1-8H2,(H3,15,16,17,18,19)
InChIKeyCQSZCSIXKYGCEE-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.10
Rot. Bonds1

About 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine

6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine (PubChem CID 104623737) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
PubChem CID104623737
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
SMILESNc1nc(N2CCC3(CCCC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6/c15-13-18-11-10(16-9-17-11)12(19-13)20-7-5-14(6-8-20)3-1-2-4-14/h9H,1-8H2,(H3,15,16,17,18,19)
InChIKeyCQSZCSIXKYGCEE-UHFFFAOYSA-N
XLogP2.10
TPSA83.72 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
CID 97274714
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70760732
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70763853
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348

Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine (CID 104623737) is 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine is Nc1nc(N2CCC3(CCCC3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine?
The InChIKey is CQSZCSIXKYGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-13-18-11-10(16-9-17-11)12(19-13)20-7-5-14(6-8-20)3-1-2-4-14/h9H,1-8H2,(H3,15,16,17,18,19).
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine?
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine is sourced from PubChem (CID 104623737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).