6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine

C11H13FN6 — CID 177211825

IUPAC6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
SMILESNc1nc(N2CC3(CC(F)C3)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H13FN6/c12-6-1-11(2-6)3-18(4-11)9-7-8(15-5-14-7)16-10(13)17-9/h5-6H,1-4H2,(H3,13,14,15,16,17)
InChIKeyBFXQMMOXQJFYDX-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.87
Rot. Bonds1

About 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine

6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine (PubChem CID 177211825) has the molecular formula C11H13FN6 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
PubChem CID177211825
Molecular FormulaC11H13FN6
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
SMILESNc1nc(N2CC3(CC(F)C3)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H13FN6/c12-6-1-11(2-6)3-18(4-11)9-7-8(15-5-14-7)16-10(13)17-9/h5-6H,1-4H2,(H3,13,14,15,16,17)
InChIKeyBFXQMMOXQJFYDX-UHFFFAOYSA-N
XLogP0.87
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
CID 97274714
2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 165063077
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
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-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine?
The IUPAC name of 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine (CID 177211825) is 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine is Nc1nc(N2CC3(CC(F)C3)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine?
The InChIKey is BFXQMMOXQJFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c12-6-1-11(2-6)3-18(4-11)9-7-8(15-5-14-7)16-10(13)17-9/h5-6H,1-4H2,(H3,13,14,15,16,17).
What are the key properties of 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine?
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine has a molecular weight of 248.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine is sourced from PubChem (CID 177211825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).