- InChI
- InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
- InChI Key
- IEDVJHCEMCRBQM-UHFFFAOYSA-N
- Formula
- C14H18N4O3
- SMILES
-
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
C - Molecular Weight1
- 290.32
- CAS
- 738-70-5
- Other Names
-
- 2,4-Diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine
- 2,4-Diamino-5-(3,4,5-Trimethoxybenzyl)pyrimidine
- 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
- 5-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine
- 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
- 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (trimethoprim)
- BW 56-72
- Bactramin
- Instalac
- Monoprim
- Monotrim
- Monotrimin
- NIH 204
- NSC-106568
- Proloprim
- Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-
- Syraprim
- Tiempe
- Trimanyl
- Trimethioprim
- Trimethopriom
- Trimetoprim
- Trimogal
- Trimopan
- Trimpex
- Triprim
- Uretrim
- Veltrim
- Wellcoprim
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.95 | Aq. Sol... | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 218.130 | ml/mol | McGowan Calculated Property |
| Inp | [2564.00; 2574.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Inp | 2574.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [49.80; 53.65] | kJ/mol | [472.90; 474.00] |
|
| ΔfusH | 49.80 | kJ/mol | 472.90 | NIST |
| ΔfusH | 53.65 | kJ/mol | 474.00 | NIST |
Similar Compounds
Find more compounds similar to Trimethoprim.
Mixtures
- Ethanol + Trimethoprim
- Ethyl Acetate + Trimethoprim
- Isopropyl Alcohol + Trimethoprim
- Trimethoprim + Water
- Acetonitrile + Trimethoprim
- Ethanol + Trimethoprim + Water
- Isopropyl Alcohol + Trimethoprim + Water
- Trimethoprim + Methyl Alcohol
- 1-Propanol + Trimethoprim
- 1-Butanol + Trimethoprim
- Acetone + Trimethoprim
- Trimethoprim + Tetrahydrofuran
Sources
- Crippen Method
- Solubility of Trimethoprim in Selected Pure Solvents and (Water + Ethanol/2-Propanol) Mixed-Solvent Systems
- Solubility of Trimethoprim (TMP) in Different Organic Solvents from (278 to 333) K
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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