| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 15 | Yes |
Popular Name: 2-Phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine 2-Phenyl-6,7-dihydro-5H-pyrrolo[…
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CAS Numbers: 1380571-58-3 , N/A
2-Phenyl-6,7-dihydro-5H-pyrrolo[3 ,4-d]pyrimidine dihydrochloride
2-Phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride
2-Phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
| 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) | 1.54 | 5.08 | -51.19 | 2 | 3 | 1 | 42 | 198.249 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.59 | -7.78 | 1 | 3 | 0 | 38 | 197.241 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/398161.gif)
![2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/592485.gif)