[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol

C11H14N8O — CID 21145541

IUPAC[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
SMILES[N-]=[N+]=N[C@H]1C[C@H](CO)C[C@@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H14N8O/c12-10-9-11(15-4-14-10)19(5-16-9)8-2-6(3-20)1-7(8)17-18-13/h4-8,20H,1-3H2,(H2,12,14,15)/t6-,7-,8-/m0/s1
InChIKeyQUQLKYBHKAOCCE-FXQIFTODSA-N
MW274.29 g/mol
LogP1.03
Rot. Bonds3

About [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol

[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol (PubChem CID 21145541) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
PubChem CID21145541
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
SMILES[N-]=[N+]=N[C@H]1C[C@H](CO)C[C@@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H14N8O/c12-10-9-11(15-4-14-10)19(5-16-9)8-2-6(3-20)1-7(8)17-18-13/h4-8,20H,1-3H2,(H2,12,14,15)/t6-,7-,8-/m0/s1
InChIKeyQUQLKYBHKAOCCE-FXQIFTODSA-N
XLogP1.03
TPSA138.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 6482482
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
CID 174354464
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 71209801
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4,4-difluorooxolan-2-yl]methanol
CID 71354368
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol?
The IUPAC name of [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol (CID 21145541) is [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol.
What is the SMILES notation for [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol?
The canonical SMILES for [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol is [N-]=[N+]=N[C@H]1C[C@H](CO)C[C@@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol?
The InChIKey is QUQLKYBHKAOCCE-FXQIFTODSA-N. The full InChI is InChI=1S/C11H14N8O/c12-10-9-11(15-4-14-10)19(5-16-9)8-2-6(3-20)1-7(8)17-18-13/h4-8,20H,1-3H2,(H2,12,14,15)/t6-,7-,8-/m0/s1.
What are the key properties of [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol?
[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol has a molecular weight of 274.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol is sourced from PubChem (CID 21145541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).