1,3-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 794234
• Molecular Formular: C14H22N4O4
• Molecular Mass: 310.34888
• Monoisotopic Mass: 310.1641052
• SMILES: c1(=O)n(c(=O)cc(n1C)C(=O)NC(CN1CCOCC1)C)C
• Canonical SMILES: CC(NC(=O)c1cc(=O)n(c(=O)n1C)C)CN1CCOCC1
• InChI: InChI=1S/C14H22N4O4/c1-10(9-18-4-6-22-7-5-18)15-13(20)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)
• InChIKey: QFIDFADCFWVACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: 1,3-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: 1,3-dimethyl-N-(1-methyl-2-morpholin-4-ylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.034329
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.1397312
• LogD (pH = 7.4): -1.192793
• Log P: -1.1468598
• Molar Refractivity: 81.2993 cm^3
• Polarizability: 30.757072 Å^3
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.68
• LOG S: -2.19
• Polar Surface Area: 85.57 Å^2
• Rotatable Bonds: 4