ChemSpider 2D Image | N-(cis-3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide | C17H25N7O3

N-(cis-3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide

  • Molecular FormulaC17H25N7O3
  • Average mass375.426 Da
  • Monoisotopic mass375.201874 Da
  • ChemSpider ID35091250

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Pyrimidineacetamide, N-[cis-3-[5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo- [ACD/Index Name]
N-(cis-3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamid [German] [ACD/IUPAC Name]
N-(cis-3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide [ACD/IUPAC Name]
N-(cis-3-{5-[(Diméthylamino)méthyl]-4-méthyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)acétamide [French] [ACD/IUPAC Name]
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.15
Polar Surface Area: 112 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 260.2±7.0 cm3

Click to predict properties on the Chemicalize site


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