Found 1 result

Search term: CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc2c(cnn12)C#N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | C16H23N7

5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

  • Molecular FormulaC16H23N7
  • Average mass313.401 Da
  • Monoisotopic mass313.201508 Da
  • ChemSpider ID24713348

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
5-[(trans-4-Aminocyclohexyl)amino]-7-(isopropylamino)pyrazolo[1,5-a]pyrimidin-3-carbonitril [German] [ACD/IUPAC Name]
5-[(trans-4-Aminocyclohexyl)amino]-7-(isopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile [ACD/IUPAC Name]
5-[(trans-4-Aminocyclohexyl)amino]-7-(isopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-[(trans-4-aminocyclohexyl)amino]-7-[(1-methylethyl)amino]- [ACD/Index Name]
7-(isopropylamino)-5-{[(1r,4r)-4-aminocyclohexyl]amino}pyrazolo[1,5-a]pyrimidine-3-carbonitrile
7-[(propan-2-yl)amino]-5-{[(1r,4r)-4-aminocyclohexyl]amino}pyrazolo[1,5-a]pyrimidine-3-carbonitrile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509730/
pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 12

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: 1.709
Molar Refractivity: 88.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 226.1±7.0 cm3

Click to predict properties on the Chemicalize site


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