5-{3-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidine-1-carbonyl}pyridin-2-amine

• ChemBase ID: 866240
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: N1(C(=O)c2cnc(cc2)N)CC(c2cc(N3CCOCC3)ncn2)CCC1
• Canonical SMILES: Nc1ccc(cn1)C(=O)N1CCCC(C1)c1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C19H24N6O2/c20-17-4-3-14(11-21-17)19(26)25-5-1-2-15(12-25)16-10-18(23-13-22-16)24-6-8-27-9-7-24/h3-4,10-11,13,15H,1-2,5-9,12H2,(H2,20,21)
• InChIKey: RDOSFSBSQIBOKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidine-1-carbonyl}pyridin-2-amine
• IUPAC Traditional name: 5-{3-[6-(morpholin-4-yl)pyrimidin-4-yl]piperidine-1-carbonyl}pyridin-2-amine
• Synonyms: 5-({3-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)-2-pyridinamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 1
• Log P: -0.36
• LOG S: -2.89
• Polar Surface Area: 97.47 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.7031693
• LogD (pH = 7.4): 0.9329784
• Log P: 0.9365678
• Molar Refractivity: 104.5014 cm^3
• Polarizability: 38.18301 Å^3
• Polar Surface Area: 97.47 Å^2
• Rotatable Bonds: 3