[4-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)morpholin-2-yl]methanamine

• ChemBase ID: 822927
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(n2c(nc1c1ccccc1)nccc2)CN1CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)Cc1c(nc2n1cccn2)c1ccccc1
• InChI: InChI=1S/C18H21N5O/c19-11-15-12-22(9-10-24-15)13-16-17(14-5-2-1-3-6-14)21-18-20-7-4-8-23(16)18/h1-8,15H,9-13,19H2
• InChIKey: PMZTUWCDBFABQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)morpholin-2-yl]methanamine
• IUPAC Traditional name: [4-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)morpholin-2-yl]methanamine
• Synonyms: ({4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholin-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8313794
• LogD (pH = 7.4): -1.276483
• Log P: 0.7460513
• Molar Refractivity: 94.6685 cm^3
• Polarizability: 37.442974 Å^3
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.49
• LOG S: -0.97
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4