5-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 611510
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: n1(c(=O)c(c[nH]c1=O)CC(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1)C
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)Cc1c[nH]c(=O)n(c1=O)C
• InChI: InChI=1S/C19H26N4O4/c1-21-16(25)14(10-20-18(21)27)9-15(24)23-8-6-19(12-23)5-2-7-22(17(19)26)11-13-3-4-13/h10,13H,2-9,11-12H2,1H3,(H,20,27)
• InChIKey: NXWAJQZHLULUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-3-methyl-1H-pyrimidine-2,4-dione
• Synonyms: 5-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.558029
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.73884684
• LogD (pH = 7.4): -0.73914003
• Log P: -0.7388417
• Molar Refractivity: 97.66 cm^3
• Polarizability: 37.494335 Å^3
• Polar Surface Area: 90.03 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: 0.79
• LOG S: -2.6
• Polar Surface Area: 95.48 Å^2
• Rotatable Bonds: 4