6-cyclopropyl-N-[3-(dimethylamino)-1-phenylpropyl]pyrimidin-4-amine

• ChemBase ID: 432430
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: c1(cc(C2CC2)ncn1)NC(CCN(C)C)c1ccccc1
• Canonical SMILES: CN(CCC(c1ccccc1)Nc1ncnc(c1)C1CC1)C
• InChI: InChI=1S/C18H24N4/c1-22(2)11-10-16(14-6-4-3-5-7-14)21-18-12-17(15-8-9-15)19-13-20-18/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,19,20,21)
• InChIKey: CAVGZTFFBLOYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-N-[3-(dimethylamino)-1-phenylpropyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-N-[3-(dimethylamino)-1-phenylpropyl]pyrimidin-4-amine
• Synonyms: (6-cyclopropylpyrimidin-4-yl)[3-(dimethylamino)-1-phenylpropyl]amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.039228
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7401318
• LogD (pH = 7.4): 1.0993148
• Log P: 2.890982
• Molar Refractivity: 92.3876 cm^3
• Polarizability: 34.735832 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.33
• LOG S: -2.44
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 7