ChemSpider 2D Image | 1-{5-[{(1Z)-3-Amino-6-[(diaminomethylene)amino]-1-hydroxy-1-hexen-1-yl}(methyl)amino]-6-hydroxy-1,4-dihydro-2-pyrimidinyl}urea | C13H25N9O3

1-{5-[{(1Z)-3-Amino-6-[(diaminomethylene)amino]-1-hydroxy-1-hexen-1-yl}(methyl)amino]-6-hydroxy-1,4-dihydro-2-pyrimidinyl}urea

  • Molecular FormulaC13H25N9O3
  • Average mass355.396 Da
  • Monoisotopic mass355.208038 Da
  • ChemSpider ID95780432

More details:

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

1-{5-[{(1Z)-3-Amino-6-[(diaminomethylen)amino]-1-hydroxy-1-hexen-1-yl}(methyl)amino]-6-hydroxy-1,4-dihydro-2-pyrimidinyl}harnstoff [German] [ACD/IUPAC Name]
1-{5-[{(1Z)-3-Amino-6-[(diaminomethylene)amino]-1-hydroxy-1-hexen-1-yl}(methyl)amino]-6-hydroxy-1,4-dihydro-2-pyrimidinyl}urea [ACD/IUPAC Name]
1-{5-[{(1Z)-3-Amino-6-[(diaminométhylène)amino]-1-hydroxy-1-hexén-1-yl}(méthyl)amino]-6-hydroxy-1,4-dihydro-2-pyrimidinyl}urée [French] [ACD/IUPAC Name]
Urea, N-[5-[[(1Z)-3-amino-6-[(diaminomethylene)amino]-1-hydroxy-1-hexen-1-yl]methylamino]-1,4-dihydro-6-hydroxy-2-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -6.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 76.0±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

Click to predict properties on the Chemicalize site


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