ChemSpider 2D Image | 6-hydroxytrimethoprim | C14H18N4O4

6-hydroxytrimethoprim

  • Molecular FormulaC14H18N4O4
  • Average mass306.317 Da
  • Monoisotopic mass306.132813 Da
  • ChemSpider ID15439086

More details:

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

2,6-Diamino-5-(3,4,5-trimethoxybenzyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2,6-Diamino-5-(3,4,5-trimethoxybenzyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
2,6-Diamino-5-(3,4,5-triméthoxybenzyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Pyrimidinol, 2,6-diamino-5-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
6-hydroxytrimethoprim
112678-48-5 [RN]
1794752-40-1 [RN]
2,4-diamino-5-(3,4,5-trimethoxybenzyl)-6-hydroxypyrimidine
2,4-diamino-6-hydroxy-5-(3,4,5-trimethoxybenzyl)pyrimidine
2,6-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4(1H)-one
More...

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

762092 [DBID]
  • Miscellaneous

    • Chemical Class:

      An aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-hydroxy substituent. ChEBI CHEBI:58969

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 301.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement