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

C11H14N4O — CID 123182324

IUPAC6-(2-aminoethoxymethyl)quinazolin-2-amine
SMILESNCCOCc1ccc2nc(N)ncc2c1
InChIInChI=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)
InChIKeyOKCZYFYIKRCHCY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.69
Rot. Bonds4

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 Name6-(2-aminoethoxymethyl)quinazolin-2-amine
PubChem CID123182324
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-(2-aminoethoxymethyl)quinazolin-2-amine
SMILESNCCOCc1ccc2nc(N)ncc2c1
InChIInChI=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)
InChIKeyOKCZYFYIKRCHCY-UHFFFAOYSA-N
XLogP0.69
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 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).