2-(dimethylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide

• ChemBase ID: 774607
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: C(=O)(c1c(nc(nc1)N(C)C)C)N(C(c1nocc1)C)C
• Canonical SMILES: CN(C(=O)c1cnc(nc1C)N(C)C)C(c1nocc1)C
• InChI: InChI=1S/C14H19N5O2/c1-9-11(8-15-14(16-9)18(3)4)13(20)19(5)10(2)12-6-7-21-17-12/h6-8,10H,1-5H3
• InChIKey: ZGJSKIPNAKUNNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-(dimethylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
• Synonyms: 2-(dimethylamino)-N-[1-(3-isoxazolyl)ethyl]-N,4-dimethyl-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0042166
• LogD (pH = 7.4): 1.0051705
• Log P: 1.0051826
• Molar Refractivity: 80.5865 cm^3
• Polarizability: 29.117182 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.27
• LOG S: -2.85
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 4