In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 12 | Yes |
Popular Name: 6-Methyl-2-trifluoromethylpyrimidin-4-ol 6-Methyl-2-trifluoromethylpyrimi…
Find On: PubMed — Wikipedia — Google
CAS Number: 2557-79-1
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) | 0.90 | 2.13 | -6.88 | 1 | 3 | 0 | 46 | 178.113 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 1.16 | -35.51 | 0 | 3 | -1 | 49 | 177.105 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 1.58 | -16.49 | 1 | 3 | 0 | 46 | 178.113 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.