9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine

C10H11N5O — CID 10584868

IUPAC9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H]2O[C@@H]21
InChIInChI=1S/C10H11N5O/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6-8(5)16-6/h3-6,8H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m0/s1
InChIKeyIDNRZERZHNBYQI-VMHSAVOQSA-N
MW217.23 g/mol
LogP0.51
Rot. Bonds1

About 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine

9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine (PubChem CID 10584868) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
PubChem CID10584868
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@@H]2O[C@@H]21
InChIInChI=1S/C10H11N5O/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6-8(5)16-6/h3-6,8H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m0/s1
InChIKeyIDNRZERZHNBYQI-VMHSAVOQSA-N
XLogP0.51
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
9-[(2R,4aR,8S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]purin-6-amine
CID 10713051
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(3S,3aR,6R,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-thiol
CID 59901097
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
CID 23209333
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
CID 57328036
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine?
The IUPAC name of 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine (CID 10584868) is 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2[C@H]1CC[C@@H]2O[C@@H]21.
What is the InChIKey of 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine?
The InChIKey is IDNRZERZHNBYQI-VMHSAVOQSA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6-8(5)16-6/h3-6,8H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m0/s1.
What are the key properties of 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine?
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine has a molecular weight of 217.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine is sourced from PubChem (CID 10584868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).