ChemSpider 2D Image | N~2~-Cyclopropyl-7-methyl-N~4~-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine | C17H24N6S

N2-Cyclopropyl-7-methyl-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID29534101

More details:

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

5H-Pyrimido[4,5-d]azepine-2,4-diamine, N2-cyclopropyl-6,7,8,9-tetrahydro-7-methyl-N4-[(2-methyl-4-thiazolyl)methyl]- [ACD/Index Name]
N2-Cyclopropyl-7-methyl-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2,4-diamin [German] [ACD/IUPAC Name]
N2-Cyclopropyl-7-methyl-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine [ACD/IUPAC Name]
N2-Cyclopropyl-7-méthyl-N4-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-6,7,8,9-tétrahydro-5H-pyrimido[4,5-d]azépine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.8±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 2.72
ACD/KOC (pH 7.4): 37.42
Polar Surface Area: 94 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

Click to predict properties on the Chemicalize site


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