2-[(quinazolin-4-yl)amino]acetamide

• ChemBase ID: 267895
• Molecular Formular: C10H10N4O
• Molecular Mass: 202.2126
• Monoisotopic Mass: 202.08546096
• SMILES: c1(c2c(ncn1)cccc2)NCC(=O)N
• Canonical SMILES: NC(=O)CNc1ncnc2c1cccc2
• InChI: InChI=1S/C10H10N4O/c11-9(15)5-12-10-7-3-1-2-4-8(7)13-6-14-10/h1-4,6H,5H2,(H2,11,15)(H,12,13,14)
• InChIKey: OHXMQTOUMSMUNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(quinazolin-4-yl)amino]acetamide
• IUPAC Traditional name: 2-(quinazolin-4-ylamino)acetamide
• Synonyms: 2-(quinazolin-4-ylamino)acetamide

Database IDs

• MDL Number: MFCD07189757
• PubChem SID: 164323805
• PubChem CID: 7454552

CALCULATED PROPERTIES

• Acid pKa: 15.3933935
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.087086074
• LogD (pH = 7.4): 0.16228788
• Log P: 0.16333888
• Molar Refractivity: 57.2146 cm^3
• Polarizability: 22.073029 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.513

Product Information

• Purity: 95%