| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 9 | Yes |
Popular Name: 5-Iodouracil 5-Iodouracil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4270-27-3 , 696-07-1 , [696-07-1]
2,4(1H,3H)-Pyrimidinedione, 5-iodo-
5-Iodopyrimidine-2,4(1H,3H)-dione
| 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) | 0.33 | -0.22 | -11.05 | 2 | 4 | 0 | 66 | 237.984 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 270 - 274 | Acros Organics |
| Melting_Point | 274-276? | Alfa-Aesar |
| Melting_Point | 274-276° | Alfa-Aesar |
| MP | 274-276°(dec.) | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 8.12e+00 g/l | DrugBank-experimental |
| Purity | 96% | Fluorochem |
| Purity | 97% | Fluorochem |
| UniProt Database Links | DPYD_BOVIN; DPYD_MOUSE; DPYD_PONAB; DPYD_RAT | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPYD-1-E | Dihydropyrimidine Dehydrogenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 220 | 1.04 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPYD_HUMAN | Q12882 | Dihydropyrimidine Dehydrogenase, Human | 220 | 1.04 | Binding ≤ 1μM |
| DPYD_HUMAN | Q12882 | Dihydropyrimidine Dehydrogenase, Human | 220 | 1.04 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine catabolism |
No pre-computed analogs available. Try a structural similarity search.