6-(2-aminoethyl)-N,2-dimethyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 695595
• Molecular Formular: C20H24N4
• Molecular Mass: 320.43136
• Monoisotopic Mass: 320.20009679
• SMILES: c1(nc(nc(c1)CCN)C)N([C@@H](c1c2c(ccc1)cccc2)C)C
• Canonical SMILES: NCCc1cc(nc(n1)C)N([C@@H](c1cccc2c1cccc2)C)C
• InChI: InChI=1S/C20H24N4/c1-14(18-10-6-8-16-7-4-5-9-19(16)18)24(3)20-13-17(11-12-21)22-15(2)23-20/h4-10,13-14H,11-12,21H2,1-3H3/t14-/m1/s1
• InChIKey: JNXMFEIQUQWCCM-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)-N,2-dimethyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(2-aminoethyl)-N,2-dimethyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-(2-aminoethyl)-N,2-dimethyl-N-[(1R)-1-(1-naphthyl)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6643231
• LogD (pH = 7.4): 1.8634795
• Log P: 4.0027223
• Molar Refractivity: 100.221 cm^3
• Polarizability: 39.27605 Å^3
• Polar Surface Area: 55.04 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 3.57
• LOG S: -3.58
• Polar Surface Area: 55.04 Å^2