2-cyclopropyl-N-[3-(morpholin-4-yl)propyl]pyrimidine-5-carboxamide

• ChemBase ID: 605824
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(ncc(C(=O)NCCCN2CCOCC2)cn1)C1CC1
• Canonical SMILES: O=C(c1cnc(nc1)C1CC1)NCCCN1CCOCC1
• InChI: InChI=1S/C15H22N4O2/c20-15(13-10-17-14(18-11-13)12-2-3-12)16-4-1-5-19-6-8-21-9-7-19/h10-12H,1-9H2,(H,16,20)
• InChIKey: OGZXQGFRXNLBCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-[3-(morpholin-4-yl)propyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-[3-(morpholin-4-yl)propyl]pyrimidine-5-carboxamide
• Synonyms: 2-cyclopropyl-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.170715
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3742187
• LogD (pH = 7.4): -0.06101332
• Log P: 0.064510785
• Molar Refractivity: 80.68 cm^3
• Polarizability: 30.497494 Å^3
• Polar Surface Area: 67.35 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: -0.52
• LOG S: -2.18
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6