(2R,6S)-2,6-dimethyl-4-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)morpholine

• ChemBase ID: 325997
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CCC(N2C[C@@H](O[C@@H](C2)C)C)CC1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1CCN(CC1)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C19H27N5O2/c1-13-11-23(12-14(2)26-13)16-5-9-22(10-6-16)18(25)17-15(3)21-19-20-7-4-8-24(17)19/h4,7-8,13-14,16H,5-6,9-12H2,1-3H3/t13-,14+
• InChIKey: KBEPWFRXOCUNJU-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethyl-4-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)morpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethyl-4-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)morpholine
• Synonyms: 3-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methylimidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.721355
• LogD (pH = 7.4): -0.9520201
• Log P: -0.20188566
• Molar Refractivity: 101.4936 cm^3
• Polarizability: 38.047745 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.7
• LOG S: -2.4
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 2