9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine

C13H21N7O — CID 118720792

IUPAC9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCNCCN1CCOCC1
InChIInChI=1S/C13H21N7O/c14-12-11-13(17-9-16-12)20(10-18-11)4-2-15-1-3-19-5-7-21-8-6-19/h9-10,15H,1-8H2,(H2,14,16,17)
InChIKeyBOFWFRDYOJLIIV-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.67
Rot. Bonds6

About 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine

9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine (PubChem CID 118720792) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine
PubChem CID118720792
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCNCCN1CCOCC1
InChIInChI=1S/C13H21N7O/c14-12-11-13(17-9-16-12)20(10-18-11)4-2-15-1-3-19-5-7-21-8-6-19/h9-10,15H,1-8H2,(H2,14,16,17)
InChIKeyBOFWFRDYOJLIIV-UHFFFAOYSA-N
XLogP-0.67
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine (CID 118720792) is 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCNCCN1CCOCC1.
What is the InChIKey of 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine?
The InChIKey is BOFWFRDYOJLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c14-12-11-13(17-9-16-12)20(10-18-11)4-2-15-1-3-19-5-7-21-8-6-19/h9-10,15H,1-8H2,(H2,14,16,17).
What are the key properties of 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine?
9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine has a molecular weight of 291.36 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-morpholin-4-ylethylamino)ethyl]purin-6-amine is sourced from PubChem (CID 118720792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).