2-(morpholin-4-ylmethyl)quinazolin-4-amine

• ChemBase ID: 252044
• Molecular Formular: C13H16N4O
• Molecular Mass: 244.29234
• Monoisotopic Mass: 244.13241115
• SMILES: n1c(c2c(nc1CN1CCOCC1)cccc2)N
• Canonical SMILES: Nc1nc(CN2CCOCC2)nc2c1cccc2
• InChI: InChI=1S/C13H16N4O/c14-13-10-3-1-2-4-11(10)15-12(16-13)9-17-5-7-18-8-6-17/h1-4H,5-9H2,(H2,14,15,16)
• InChIKey: ASXDSNYVMOHIQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(morpholin-4-ylmethyl)quinazolin-4-amine
• Synonyms: 2-(morpholin-4-ylmethyl)quinazolin-4-amine

Database IDs

• MDL Number: MFCD07852059
• PubChem SID: 164307954
• PubChem CID: 9118374

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3149623
• LogD (pH = 7.4): 1.3851674
• Log P: 1.38614
• Molar Refractivity: 70.9423 cm^3
• Polarizability: 27.88726 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.807

Product Information

• Purity: 95%