2-chloro-N-cyclopropylquinazolin-4-amine

• ChemBase ID: 120801
• Molecular Formular: C11H10ClN3
• Molecular Mass: 219.6702
• Monoisotopic Mass: 219.05632502
• SMILES: c1(nc(nc2c1cccc2)Cl)NC1CC1
• Canonical SMILES: Clc1nc(NC2CC2)c2c(n1)cccc2
• InChI: InChI=1S/C11H10ClN3/c12-11-14-9-4-2-1-3-8(9)10(15-11)13-7-5-6-7/h1-4,7H,5-6H2,(H,13,14,15)
• InChIKey: WUJGNXBZGUWNMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropylquinazolin-4-amine
• IUPAC Traditional name: 2-chloro-N-cyclopropylquinazolin-4-amine
• Synonyms: 2-chloro-N-cyclopropylquinazolin-4-amine

Database IDs

• PubChem SID: 162215154
• PubChem CID: 2420248

CALCULATED PROPERTIES

• Acid pKa: 19.102762
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.866213
• LogD (pH = 7.4): 2.8664105
• Log P: 2.866413
• Molar Refractivity: 62.0176 cm^3
• Polarizability: 23.97248 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true