2-(2-aminoethyl)-N-[(1R,2S)-2-phenylcyclopropyl]quinazolin-4-amine

• ChemBase ID: 618019
• Molecular Formular: C19H20N4
• Molecular Mass: 304.3889
• Monoisotopic Mass: 304.16879666
• SMILES: [C@@H]1([C@@H](C1)c1ccccc1)Nc1nc(nc2c1cccc2)CCN
• Canonical SMILES: NCCc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2c(n1)cccc2
• InChI: InChI=1S/C19H20N4/c20-11-10-18-21-16-9-5-4-8-14(16)19(23-18)22-17-12-15(17)13-6-2-1-3-7-13/h1-9,15,17H,10-12,20H2,(H,21,22,23)/t15-,17+/m0/s1
• InChIKey: RGXAGJDXJITALI-DOTOQJQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[(1R,2S)-2-phenylcyclopropyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[(1R,2S)-2-phenylcyclopropyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[(1R*,2S*)-2-phenylcyclopropyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.290047
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2312997
• LogD (pH = 7.4): 1.3808038
• Log P: 3.3808126
• Molar Refractivity: 93.7691 cm^3
• Polarizability: 36.698242 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.09
• LOG S: -3.05
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 5