| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2008 | 12 | Yes |
Popular Name: 4-methyl-6-(trifluoromethyl)-2-pyrimidinol 4-methyl-6-(trifluoromethyl)-2-p…
Find On: PubMed — Wikipedia — Google
CAS Number: 91606-60-9
2-Pyrimidinol, 4-methyl-6-(trifluoromethyl)-
4-Methyl-6-(trifluoromethyl)pyrimidin-2(1H)-one
4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
6-Methyl-4-trifluoro methyl pyrimidin-2-ol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.23 | 1.01 | -16.31 | 1 | 3 | 0 | 46 | 178.113 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | -0.08 | -41.14 | 0 | 3 | -1 | 49 | 177.105 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 0.81 | -11.99 | 1 | 3 | 0 | 46 | 178.113 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 184 - 186 | Enamine Building Blocks |
| MP | 185 - 187 | Enamine Building Blocks |
| MP | 185...187 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.