N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide

• ChemBase ID: 506029
• Molecular Formular: C12H19N3O2
• Molecular Mass: 237.29816
• Monoisotopic Mass: 237.14772686
• SMILES: C(=O)(c1cnc(nc1)CC)N(CCOC)CC
• Canonical SMILES: COCCN(C(=O)c1cnc(nc1)CC)CC
• InChI: InChI=1S/C12H19N3O2/c1-4-11-13-8-10(9-14-11)12(16)15(5-2)6-7-17-3/h8-9H,4-7H2,1-3H3
• InChIKey: YSOGOZQURXOASF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide
• IUPAC Traditional name: N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide
• Synonyms: N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.68324506
• LogD (pH = 7.4): 0.6832571
• Log P: 0.6832572
• Molar Refractivity: 66.6375 cm^3
• Polarizability: 24.902233 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.22
• LOG S: -2.05
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6