2-(2-aminoethyl)-N-(cyclopropylmethyl)quinazolin-4-amine

• ChemBase ID: 679600
• Molecular Formular: C14H18N4
• Molecular Mass: 242.31952
• Monoisotopic Mass: 242.1531466
• SMILES: c1(nc(nc2c1cccc2)CCN)NCC1CC1
• Canonical SMILES: NCCc1nc(NCC2CC2)c2c(n1)cccc2
• InChI: InChI=1S/C14H18N4/c15-8-7-13-17-12-4-2-1-3-11(12)14(18-13)16-9-10-5-6-10/h1-4,10H,5-9,15H2,(H,16,17,18)
• InChIKey: FHKJUUCCMZTVTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-(cyclopropylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-(cyclopropylmethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(cyclopropylmethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9900862
• LogD (pH = 7.4): 0.16024727
• Log P: 2.1604402
• Molar Refractivity: 73.9333 cm^3
• Polarizability: 28.98956 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: 2.15
• LOG S: -1.79
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 5