6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine

C13H18N6O — CID 97274714

IUPAC6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCC[C@]3(CCOC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N6O/c14-12-17-10-9(15-8-16-10)11(18-12)19-4-1-2-13(6-19)3-5-20-7-13/h8H,1-7H2,(H3,14,15,16,17,18)/t13-/m0/s1
InChIKeyNDKJVOYCCGHCTA-ZDUSSCGKSA-N
MW274.33 g/mol
LogP0.94
Rot. Bonds1

About 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine

6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine (PubChem CID 97274714) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
PubChem CID97274714
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCC[C@]3(CCOC3)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N6O/c14-12-17-10-9(15-8-16-10)11(18-12)19-4-1-2-13(6-19)3-5-20-7-13/h8H,1-7H2,(H3,14,15,16,17,18)/t13-/m0/s1
InChIKeyNDKJVOYCCGHCTA-ZDUSSCGKSA-N
XLogP0.94
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70760732
N-(3,4-dihydro-1H-isochromen-6-ylmethyl)-6-(2-oxa-8-azaspiro[5.5]undecan-8-yl)-7H-purin-2-amine
CID 166399305
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146582980

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine?
The IUPAC name of 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine (CID 97274714) is 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine?
The canonical SMILES for 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine is Nc1nc(N2CCC[C@]3(CCOC3)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine?
The InChIKey is NDKJVOYCCGHCTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N6O/c14-12-17-10-9(15-8-16-10)11(18-12)19-4-1-2-13(6-19)3-5-20-7-13/h8H,1-7H2,(H3,14,15,16,17,18)/t13-/m0/s1.
What are the key properties of 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine?
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine is sourced from PubChem (CID 97274714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).