2-methoxy-N-(1-propylpiperidin-4-yl)pyrimidine-5-carboxamide

• ChemBase ID: 621980
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: C(=O)(c1cnc(nc1)OC)NC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)NC(=O)c1cnc(nc1)OC
• InChI: InChI=1S/C14H22N4O2/c1-3-6-18-7-4-12(5-8-18)17-13(19)11-9-15-14(20-2)16-10-11/h9-10,12H,3-8H2,1-2H3,(H,17,19)
• InChIKey: GZQSINVODRPWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(1-propylpiperidin-4-yl)pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-methoxy-N-(1-propylpiperidin-4-yl)pyrimidine-5-carboxamide
• Synonyms: 2-methoxy-N-(1-propyl-4-piperidinyl)-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.336026
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.681613
• LogD (pH = 7.4): -1.1204509
• Log P: 0.551303
• Molar Refractivity: 77.8303 cm^3
• Polarizability: 29.450165 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -2.08
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2