Compound HNG
Identifiers
- Canonical SMILES:
NCc1c[nH]c2NC(=NC(=O)c12)N
- IUPAC name:
2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
- InChi:
InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
- InChiKey:
MEYMBLGOKYDGLZ-UHFFFAOYSA-N
- SMARTS:
[#7]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#7]:[#6](:[#7]:[#6](=[#8]):[#6]:1:2)-[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
135398563
CHEMBL1235432
HNG
DB03304
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 179.08 g/mol | |||
| HBA | 4 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -0.71 | |||
| TPSA | 113.58 | |||
| RB | 1 |