N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 835723
• Molecular Formular: C14H21N3O4
• Molecular Mass: 295.33424
• Monoisotopic Mass: 295.15320617
• SMILES: c1(=O)n(c(=O)cc(n1C)C(=O)NC1(COC)CCCC1)C
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C14H21N3O4/c1-16-10(8-11(18)17(2)13(16)20)12(19)15-14(9-21-3)6-4-5-7-14/h8H,4-7,9H2,1-3H3,(H,15,19)
• InChIKey: XKKKFKROHVLRIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.116618
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13208425
• LogD (pH = 7.4): -0.13208392
• Log P: -0.13208385
• Molar Refractivity: 77.1332 cm^3
• Polarizability: 29.227962 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.36
• LOG S: -1.66
• Polar Surface Area: 82.33 Å^2
• Rotatable Bonds: 4