N,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]quinazolin-2-amine

• ChemBase ID: 404307
• Molecular Formular: C16H22N4
• Molecular Mass: 270.37268
• Monoisotopic Mass: 270.18444672
• SMILES: c1(nc(c2c(n1)cccc2)C)N(CCN1CCCC1)C
• Canonical SMILES: CN(c1nc(C)c2c(n1)cccc2)CCN1CCCC1
• InChI: InChI=1S/C16H22N4/c1-13-14-7-3-4-8-15(14)18-16(17-13)19(2)11-12-20-9-5-6-10-20/h3-4,7-8H,5-6,9-12H2,1-2H3
• InChIKey: RVXQADVJERDRFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]quinazolin-2-amine
• IUPAC Traditional name: N,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]quinazolin-2-amine
• Synonyms: N,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.38404334
• LogD (pH = 7.4): 1.2559941
• Log P: 2.7677045
• Molar Refractivity: 83.3267 cm^3
• Polarizability: 32.68415 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -2.66
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4