| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 11 | Yes |
Popular Name: 2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one 2-Amino-3,5-dihydro-pyrrolo[3,2-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 65996-58-9 , [65996-58-9]
2-amino-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
2-Amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
2-Amino-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-amino-1,5-dihydro-
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-amino-1,5-dihydro- (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) | -0.37 | 0.57 | -18.64 | 3 | 5 | 0 | 84 | 150.141 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | -0.66 | -48.61 | 3 | 5 | -1 | 91 | 149.133 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 0.57 | -12.36 | 4 | 5 | 0 | 88 | 150.141 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.37 | 1 | -41.3 | 4 | 5 | 1 | 86 | 151.149 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.28e+01 g/l | DrugBank-experimental |
| ALOGPS_SOLUBILITY | 3.03e+00 g/l | DrugBank-experimental |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0460116A1; EP0460116B1; EP0734388A1; EP0970029A1; EP0986563A1; US5386031; US5453533; US5565463; US5650511; US5721240; US6043365; WO1990010631A1; WO1997021653A1; WO1998054185A1; WO2000039751A2 | IBM Patent Data |
