| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 10 | Yes |
Popular Name: 3H-Pyrrolo[3,2-d]pyrimidin-4(5H)-one 3H-Pyrrolo[3,2-d]pyrimidin-4(5H)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 06/01/5655 , 39455-99-7 , 5655-01-6 , 5655-1-6 , 89830-72-8 , [5655-01-6] , [65996-58-9]
1,5-Dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
1H-Pyrrolo[3,2-d]pyrimidin-4(5H)-one
1H-Pyrrolo[3,2-d]pyrimidin-4-ol (9CI)
2-amino-3,5,6,7-tetrahydro-4H-Pyrrolo[3,2-d]pyrimidin-4-one
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
3H-Pyrrolo[3,2-d]pyrimidin-4-ol
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1,5-dihydro- (8CI,9CI)
| 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) | 0.00 | 0.53 | -20.97 | 2 | 4 | 0 | 62 | 135.126 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | -0.91 | -54.2 | 0 | 4 | -1 | 61 | 134.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 0.03 | -45.09 | 1 | 4 | -1 | 65 | 134.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 1.2 | -12.98 | 2 | 4 | 0 | 62 | 135.126 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.74e+00 g/l | DrugBank-experimental |
| ALOGPS_SOLUBILITY | 6.82e+00 g/l | DrugBank-experimental |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| MP | >300° | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0785941A1; EP0785941B1; EP0974672A1; WO1996011937A1; WO2000061783A2 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
