ChemSpider 2D Image | (S)-iclaprim | C19H22N4O3

(S)-iclaprim

  • Molecular FormulaC19H22N4O3
  • Average mass354.403 Da
  • Monoisotopic mass354.169189 Da
  • ChemSpider ID21207298

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

(S)-iclaprim
2,4-Pyrimidinediamine, 5-[(2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]- [ACD/Index Name]
5-[(2-Cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[(2-Cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[(2-Cyclopropyl-7,8-diméthoxy-2H-chromén-5-yl)méthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
192314-93-5 [RN]
5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-chroman-5-yl]methyl]pyrimidine-2,4-diamine
5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
AR 102
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AR-102 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 5-[(2-cyclopropyl-7,8-dimethoxy-2<element>H</element>-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has <stereo>S</stereo> configuration. ChEBI CHEBI:131753

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 616.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 14.64
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 21.07
ACD/KOC (pH 7.4): 283.68
Polar Surface Area: 106 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

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