9-[(2R)-1-azidooctan-2-yl]purin-6-amine

C13H20N8 — CID 10334306

IUPAC9-[(2R)-1-azidooctan-2-yl]purin-6-amine
SMILESCCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc21
InChIInChI=1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyDFUMBVBEFBNTNQ-SNVBAGLBSA-N
MW288.36 g/mol
LogP3.23
Rot. Bonds8

About 9-[(2R)-1-azidooctan-2-yl]purin-6-amine

9-[(2R)-1-azidooctan-2-yl]purin-6-amine (PubChem CID 10334306) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 9-[(2R)-1-azidooctan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R)-1-azidooctan-2-yl]purin-6-amine
PubChem CID10334306
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name9-[(2R)-1-azidooctan-2-yl]purin-6-amine
SMILESCCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc21
InChIInChI=1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyDFUMBVBEFBNTNQ-SNVBAGLBSA-N
XLogP3.23
TPSA118.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-1-azidooctan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R)-1-azidooctan-2-yl]purin-6-amine (CID 10334306) is 9-[(2R)-1-azidooctan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R)-1-azidooctan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R)-1-azidooctan-2-yl]purin-6-amine is CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[(2R)-1-azidooctan-2-yl]purin-6-amine?
The InChIKey is DFUMBVBEFBNTNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 9-[(2R)-1-azidooctan-2-yl]purin-6-amine?
9-[(2R)-1-azidooctan-2-yl]purin-6-amine has a molecular weight of 288.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-1-azidooctan-2-yl]purin-6-amine is sourced from PubChem (CID 10334306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).