9-(2-morpholin-4-ylethyl)purin-6-amine

C₁₁H₁₆N₆O — CID 916394

About 9-(2-morpholin-4-ylethyl)purin-6-amine

9-(2-morpholin-4-ylethyl)purin-6-amine (PubChem CID 916394) has the molecular formula C₁₁H₁₆N₆O and a molecular weight of 248.29 g/mol. Its IUPAC name is 9-(2-morpholin-4-ylethyl)purin-6-amine.

Molecular Properties

• Compound Name: 9-(2-morpholin-4-ylethyl)purin-6-amine
• PubChem CID: 916394
• Molecular Formula: C₁₁H₁₆N₆O
• Molecular Weight: 248.29 g/mol
• Exact Mass: 248.14
• IUPAC Name: 9-(2-morpholin-4-ylethyl)purin-6-amine
• SMILES: Nc1ncnc2c1ncn2CCN1CCOCC1
• InChI: InChI=1S/C11H16N6O/c12-10-9-11(14-7-13-10)17(8-15-9)2-1-16-3-5-18-6-4-16/h7-8H,1-6H2,(H2,12,13,14)
• InChIKey: QMOJHLZCNSIFHC-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 82.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.29
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(2-morpholin-4-ylethyl)purin-6-amine?

The IUPAC name of 9-(2-morpholin-4-ylethyl)purin-6-amine (CID 916394) is 9-(2-morpholin-4-ylethyl)purin-6-amine.

What is the SMILES notation for 9-(2-morpholin-4-ylethyl)purin-6-amine?

The canonical SMILES for 9-(2-morpholin-4-ylethyl)purin-6-amine is Nc1ncnc2c1ncn2CCN1CCOCC1.

What is the InChIKey of 9-(2-morpholin-4-ylethyl)purin-6-amine?

The InChIKey is QMOJHLZCNSIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-10-9-11(14-7-13-10)17(8-15-9)2-1-16-3-5-18-6-4-16/h7-8H,1-6H2,(H2,12,13,14).

What are the key properties of 9-(2-morpholin-4-ylethyl)purin-6-amine?

9-(2-morpholin-4-ylethyl)purin-6-amine has a molecular weight of 248.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-morpholin-4-ylethyl)purin-6-amine is sourced from PubChem (CID 916394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 916394 — identifiers, structure, computed properties (public domain)

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