6-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 401351
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C19H24N4O4/c1-21-16(11-17(24)22(2)19(21)26)18(25)23-10-4-5-14(12-23)20-13-6-8-15(27-3)9-7-13/h6-9,11,14,20H,4-5,10,12H2,1-3H3
• InChIKey: AUDPDTFNLFOWND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-({3-[(4-methoxyphenyl)amino]-1-piperidinyl}carbonyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.18453175
• LogD (pH = 7.4): 0.4380671
• Log P: 0.44248942
• Molar Refractivity: 102.6408 cm^3
• Polarizability: 38.062176 Å^3
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.3
• LOG S: -3.57
• Polar Surface Area: 85.57 Å^2
• Rotatable Bonds: 3