9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine

C10H10N8 — CID 174354464

IUPAC9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
SMILES[N-]=[N+]=N[C@H]1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C10H10N8/c11-9-8-10(14-4-13-9)18(5-15-8)7-2-1-6(3-7)16-17-12/h1-2,4-7H,3H2,(H2,11,13,14)/t6-,7?/m0/s1
InChIKeyHWOTVHGVVDMFGP-PKPIPKONSA-N
MW242.25 g/mol
LogP1.59
Rot. Bonds2

About 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine

9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine (PubChem CID 174354464) has the molecular formula C10H10N8 and a molecular weight of 242.25 g/mol. Its IUPAC name is 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
PubChem CID174354464
Molecular FormulaC10H10N8
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
SMILES[N-]=[N+]=N[C@H]1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C10H10N8/c11-9-8-10(14-4-13-9)18(5-15-8)7-2-1-6(3-7)16-17-12/h1-2,4-7H,3H2,(H2,11,13,14)/t6-,7?/m0/s1
InChIKeyHWOTVHGVVDMFGP-PKPIPKONSA-N
XLogP1.59
TPSA118.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
CID 21145541
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 6482482
diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
CID 171628949
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 71209801
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356

Frequently Asked Questions

What is the IUPAC name of 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine?
The IUPAC name of 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine (CID 174354464) is 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine.
What is the SMILES notation for 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine?
The canonical SMILES for 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine is [N-]=[N+]=N[C@H]1C=CC(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine?
The InChIKey is HWOTVHGVVDMFGP-PKPIPKONSA-N. The full InChI is InChI=1S/C10H10N8/c11-9-8-10(14-4-13-9)18(5-15-8)7-2-1-6(3-7)16-17-12/h1-2,4-7H,3H2,(H2,11,13,14)/t6-,7?/m0/s1.
What are the key properties of 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine?
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine has a molecular weight of 242.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine is sourced from PubChem (CID 174354464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).