N-methyl-N-[2-(morpholin-4-yl)propyl]-2-(phenylamino)pyrimidine-5-carboxamide

• ChemBase ID: 652466
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: C(=O)(N(CC(N1CCOCC1)C)C)c1cnc(nc1)Nc1ccccc1
• Canonical SMILES: CC(N1CCOCC1)CN(C(=O)c1cnc(nc1)Nc1ccccc1)C
• InChI: InChI=1S/C19H25N5O2/c1-15(24-8-10-26-11-9-24)14-23(2)18(25)16-12-20-19(21-13-16)22-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,20,21,22)
• InChIKey: SWTFWTAIYUKERL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(morpholin-4-yl)propyl]-2-(phenylamino)pyrimidine-5-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(morpholin-4-yl)propyl]-2-(phenylamino)pyrimidine-5-carboxamide
• Synonyms: 2-anilino-N-methyl-N-(2-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.81398
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8246715
• LogD (pH = 7.4): 1.6503587
• Log P: 1.6831588
• Molar Refractivity: 101.5387 cm^3
• Polarizability: 38.33306 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.24
• LOG S: -3.31
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6