9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine

C11H14N6 — CID 57328036

IUPAC9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C11H14N6/c12-10-9-11(15-4-14-10)17(5-16-9)8-2-6-1-7(8)13-3-6/h4-8,13H,1-3H2,(H2,12,14,15)/t6-,7+,8+/m1/s1
InChIKeyOPSPMSLLTSJTPB-CSMHCCOUSA-N
MW230.27 g/mol
LogP0.33
Rot. Bonds1

About 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine

9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine (PubChem CID 57328036) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
PubChem CID57328036
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H]2CN[C@H]1C2
InChIInChI=1S/C11H14N6/c12-10-9-11(15-4-14-10)17(5-16-9)8-2-6-1-7(8)13-3-6/h4-8,13H,1-3H2,(H2,12,14,15)/t6-,7+,8+/m1/s1
InChIKeyOPSPMSLLTSJTPB-CSMHCCOUSA-N
XLogP0.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine with MolForge

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Related Compounds

(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
1-(2-azabicyclo[2.2.1]heptan-6-yl)-3-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 138629243
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
9-[(1R,2S,6R,7R)-4-thiatricyclo[5.2.1.02,6]decan-8-yl]purin-6-amine
CID 71595336

Frequently Asked Questions

What is the IUPAC name of 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine?
The IUPAC name of 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine (CID 57328036) is 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine.
What is the SMILES notation for 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine?
The canonical SMILES for 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1C[C@@H]2CN[C@H]1C2.
What is the InChIKey of 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine?
The InChIKey is OPSPMSLLTSJTPB-CSMHCCOUSA-N. The full InChI is InChI=1S/C11H14N6/c12-10-9-11(15-4-14-10)17(5-16-9)8-2-6-1-7(8)13-3-6/h4-8,13H,1-3H2,(H2,12,14,15)/t6-,7+,8+/m1/s1.
What are the key properties of 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine?
9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine has a molecular weight of 230.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine is sourced from PubChem (CID 57328036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).