N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 859771
• Molecular Formular: C16H20N6O5
• Molecular Mass: 376.3672
• Monoisotopic Mass: 376.14951777
• SMILES: c1c(N2CC(OCC2)CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cnn(c1=O)C
• Canonical SMILES: O=c1[nH]c(=O)[nH]c(c1)C(=O)NCCC1OCCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C16H20N6O5/c1-21-14(24)6-10(8-18-21)22-4-5-27-11(9-22)2-3-17-15(25)12-7-13(23)20-16(26)19-12/h6-8,11H,2-5,9H2,1H3,(H,17,25)(H2,19,20,23,26)
• InChIKey: WVJZNLZHOUGBFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-{2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl}-2,6-dioxo-1,3-dihydropyrimidine-4-carboxamide
• Synonyms: N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.818858
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -2.4791107
• LogD (pH = 7.4): -2.494962
• Log P: -2.4789033
• Molar Refractivity: 96.1864 cm^3
• Polarizability: 35.139202 Å^3
• Polar Surface Area: 132.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.9
• LOG S: -1.63
• Polar Surface Area: 142.18 Å^2
• Rotatable Bonds: 5