4,6-dimethyl-2-oxo-N-(2-propoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 642608
• Molecular Formular: C12H21N3O3
• Molecular Mass: 255.31344
• Monoisotopic Mass: 255.15829155
• SMILES: C1(=C(NC(=O)NC1C)C)C(=O)NCCOCCC
• Canonical SMILES: CCCOCCNC(=O)C1=C(C)NC(=O)NC1C
• InChI: InChI=1S/C12H21N3O3/c1-4-6-18-7-5-13-11(16)10-8(2)14-12(17)15-9(10)3/h8H,4-7H2,1-3H3,(H,13,16)(H2,14,15,17)
• InChIKey: FEHIZNDPRITSHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-oxo-N-(2-propoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: 4,6-dimethyl-2-oxo-N-(2-propoxyethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
• Synonyms: 4,6-dimethyl-2-oxo-N-(2-propoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.734318
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.6143104
• LogD (pH = 7.4): -0.61431164
• Log P: -0.61430985
• Molar Refractivity: 69.0872 cm^3
• Polarizability: 26.156569 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.46
• LOG S: -2.31
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6