1-(2,6-dimethylpyridin-4-yl)-4-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperazine

• ChemBase ID: 704711
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CCN(c2cc(nc(c2)C)C)CC1
• Canonical SMILES: Cc1cc(cc(n1)C)N1CCN(CC1)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C19H22N6O/c1-13-11-16(12-14(2)21-13)23-7-9-24(10-8-23)18(26)17-15(3)22-19-20-5-4-6-25(17)19/h4-6,11-12H,7-10H2,1-3H3
• InChIKey: YYOXRMBYDWQKFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyridin-4-yl)-4-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperazine
• IUPAC Traditional name: 1-(2,6-dimethylpyridin-4-yl)-4-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperazine
• Synonyms: 3-{[4-(2,6-dimethyl-4-pyridinyl)-1-piperazinyl]carbonyl}-2-methylimidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.9715127
• LogD (pH = 7.4): -1.6721075
• Log P: -0.060033683
• Molar Refractivity: 101.7051 cm^3
• Polarizability: 37.023888 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.91
• LOG S: -2.53
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2