6-(2-aminoethoxymethyl)quinazolin-2-amine

C₁₁H₁₄N₄O — CID 123182324

About 6-(2-aminoethoxymethyl)quinazolin-2-amine

6-(2-aminoethoxymethyl)quinazolin-2-amine (PubChem CID 123182324) has the molecular formula C₁₁H₁₄N₄O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(2-aminoethoxymethyl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-(2-aminoethoxymethyl)quinazolin-2-amine
• PubChem CID: 123182324
• Molecular Formula: C₁₁H₁₄N₄O
• Molecular Weight: 218.26 g/mol
• Exact Mass: 218.12
• IUPAC Name: 6-(2-aminoethoxymethyl)quinazolin-2-amine
• SMILES: NCCOCc1ccc2nc(N)ncc2c1
• InChI: InChI=1S/C11H14N4O/c12-3-4-16-7-8-1-2-10-9(5-8)6-14-11(13)15-10/h1-2,5-6H,3-4,7,12H2,(H2,13,14,15)
• InChIKey: OKCZYFYIKRCHCY-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.26
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxymethyl)quinazolin-2-amine?

The IUPAC name of 6-(2-aminoethoxymethyl)quinazolin-2-amine (CID 123182324) is 6-(2-aminoethoxymethyl)quinazolin-2-amine.

What is the SMILES notation for 6-(2-aminoethoxymethyl)quinazolin-2-amine?

The canonical SMILES for 6-(2-aminoethoxymethyl)quinazolin-2-amine is NCCOCc1ccc2nc(N)ncc2c1.

What is the InChIKey of 6-(2-aminoethoxymethyl)quinazolin-2-amine?

The InChIKey is OKCZYFYIKRCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-3-4-16-7-8-1-2-10-9(5-8)6-14-11(13)15-10/h1-2,5-6H,3-4,7,12H2,(H2,13,14,15).

What are the key properties of 6-(2-aminoethoxymethyl)quinazolin-2-amine?

6-(2-aminoethoxymethyl)quinazolin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminoethoxymethyl)quinazolin-2-amine is sourced from PubChem (CID 123182324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123182324 — identifiers, structure, computed properties (public domain)

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