9-(2-azidoethyl)purin-6-amine

C7H8N8 — CID 15216696

IUPAC9-(2-azidoethyl)purin-6-amine
SMILES[N-]=[N+]=NCCn1cnc2c(N)ncnc21
InChIInChI=1S/C7H8N8/c8-6-5-7(11-3-10-6)15(4-12-5)2-1-13-14-9/h3-4H,1-2H2,(H2,8,10,11)
InChIKeyPNXSDXBXPQWNFJ-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.72
Rot. Bonds3

About 9-(2-azidoethyl)purin-6-amine

9-(2-azidoethyl)purin-6-amine (PubChem CID 15216696) has the molecular formula C7H8N8 and a molecular weight of 204.20 g/mol. Its IUPAC name is 9-(2-azidoethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-azidoethyl)purin-6-amine
PubChem CID15216696
Molecular FormulaC7H8N8
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name9-(2-azidoethyl)purin-6-amine
SMILES[N-]=[N+]=NCCn1cnc2c(N)ncnc21
InChIInChI=1S/C7H8N8/c8-6-5-7(11-3-10-6)15(4-12-5)2-1-13-14-9/h3-4H,1-2H2,(H2,8,10,11)
InChIKeyPNXSDXBXPQWNFJ-UHFFFAOYSA-N
XLogP0.72
TPSA118.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.72
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-pent-4-ynylpurin-6-amine
CID 91098853
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol
CID 101335301
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
9-[2-(dioxidophosphinothioylmethoxy)ethyl]purin-6-amine
CID 59288010

Frequently Asked Questions

What is the IUPAC name of 9-(2-azidoethyl)purin-6-amine?
The IUPAC name of 9-(2-azidoethyl)purin-6-amine (CID 15216696) is 9-(2-azidoethyl)purin-6-amine.
What is the SMILES notation for 9-(2-azidoethyl)purin-6-amine?
The canonical SMILES for 9-(2-azidoethyl)purin-6-amine is [N-]=[N+]=NCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-azidoethyl)purin-6-amine?
The InChIKey is PNXSDXBXPQWNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N8/c8-6-5-7(11-3-10-6)15(4-12-5)2-1-13-14-9/h3-4H,1-2H2,(H2,8,10,11).
What are the key properties of 9-(2-azidoethyl)purin-6-amine?
9-(2-azidoethyl)purin-6-amine has a molecular weight of 204.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-azidoethyl)purin-6-amine is sourced from PubChem (CID 15216696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).