2-tert-butyl-4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-5-carboxamide

• ChemBase ID: 457530
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1c(c(C(=O)NC2Cc3c(CC2)cccc3)cnc1C(C)(C)C)O
• Canonical SMILES: O=C(c1cnc(nc1O)C(C)(C)C)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C19H23N3O2/c1-19(2,3)18-20-11-15(17(24)22-18)16(23)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,14H,8-10H2,1-3H3,(H,21,23)(H,20,22,24)
• InChIKey: PRDQZTNIMVOPEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-tert-butyl-4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-5-carboxamide
• Synonyms: 2-tert-butyl-4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.888904
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.8534265
• LogD (pH = 7.4): 4.853293
• Log P: 4.85343
• Molar Refractivity: 94.267 cm^3
• Polarizability: 35.500385 Å^3
• Polar Surface Area: 75.11 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 2
• Log P: 3.47
• LOG S: -4.54
• Polar Surface Area: 75.11 Å^2