2-cyclopropyl-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-4-hydroxypyrimidine-5-carboxamide

• ChemBase ID: 851183
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c(c(C(=O)NCCN(c2cc(ccc2)C)CC)cnc1C1CC1)O
• Canonical SMILES: CCN(c1cccc(c1)C)CCNC(=O)c1cnc(nc1O)C1CC1
• InChI: InChI=1S/C19H24N4O2/c1-3-23(15-6-4-5-13(2)11-15)10-9-20-18(24)16-12-21-17(14-7-8-14)22-19(16)25/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,20,24)(H,21,22,25)
• InChIKey: OZZMUKCTRSTXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-4-hydroxypyrimidine-5-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-4-hydroxypyrimidine-5-carboxamide
• Synonyms: 2-cyclopropyl-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-4-hydroxypyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.897606
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.9829516
• LogD (pH = 7.4): 4.1245365
• Log P: 4.126827
• Molar Refractivity: 99.3228 cm^3
• Polarizability: 36.57351 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.89
• LOG S: -4.15
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 7