9-[2-(azetidin-3-yl)ethyl]purin-6-amine

C10H14N6 — CID 107391226

IUPAC9-[2-(azetidin-3-yl)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCC1CNC1
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)2-1-7-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)
InChIKeyZVXLGYBPRNPBAM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.02
Rot. Bonds3

About 9-[2-(azetidin-3-yl)ethyl]purin-6-amine

9-[2-(azetidin-3-yl)ethyl]purin-6-amine (PubChem CID 107391226) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 9-[2-(azetidin-3-yl)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(azetidin-3-yl)ethyl]purin-6-amine
PubChem CID107391226
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name9-[2-(azetidin-3-yl)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCC1CNC1
InChIInChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)2-1-7-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)
InChIKeyZVXLGYBPRNPBAM-UHFFFAOYSA-N
XLogP0.02
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-pent-4-ynylpurin-6-amine
CID 91098853
9-(2-azidoethyl)purin-6-amine
CID 15216696
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053

Frequently Asked Questions

What is the IUPAC name of 9-[2-(azetidin-3-yl)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(azetidin-3-yl)ethyl]purin-6-amine (CID 107391226) is 9-[2-(azetidin-3-yl)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(azetidin-3-yl)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(azetidin-3-yl)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCC1CNC1.
What is the InChIKey of 9-[2-(azetidin-3-yl)ethyl]purin-6-amine?
The InChIKey is ZVXLGYBPRNPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-8-10(14-5-13-9)16(6-15-8)2-1-7-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14).
What are the key properties of 9-[2-(azetidin-3-yl)ethyl]purin-6-amine?
9-[2-(azetidin-3-yl)ethyl]purin-6-amine has a molecular weight of 218.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(azetidin-3-yl)ethyl]purin-6-amine is sourced from PubChem (CID 107391226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).