4-hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide

• ChemBase ID: 842421
• Molecular Formular: C12H19N3O4
• Molecular Mass: 269.29696
• Monoisotopic Mass: 269.1375561
• SMILES: c1(C(=O)N(CCOC)CCOC)c(nc(nc1)C)O
• Canonical SMILES: COCCN(C(=O)c1cnc(nc1O)C)CCOC
• InChI: InChI=1S/C12H19N3O4/c1-9-13-8-10(11(16)14-9)12(17)15(4-6-18-2)5-7-19-3/h8H,4-7H2,1-3H3,(H,13,14,16)
• InChIKey: OOAMUBPBCJFCLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
• IUPAC Traditional name: 4-hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
• Synonyms: 4-hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.936905
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5623565
• LogD (pH = 7.4): 0.56223917
• Log P: 0.56236196
• Molar Refractivity: 70.5999 cm^3
• Polarizability: 26.287611 Å^3
• Polar Surface Area: 84.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.32
• LOG S: -1.35
• Polar Surface Area: 84.78 Å^2
• Rotatable Bonds: 7