Metabolite 5-OH 1-PP
- Name
- 5-OH 1-PP
- Description
- Not Available
- Structure
Structure for 5-OH 1-PP
- Synonyms
- Not Available
- UNII
- XA2FEY43FM
- CAS number
- Not Available
- Weight
- Average: 180.211
Monoisotopic: 180.101111022 - Chemical Formula
- C8H12N4O
- InChI Key
- QLKRAKYZQCJDSA-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H12N4O/c13-7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9,13H,1-4H2
- IUPAC Name
- 2-(piperazin-1-yl)pyrimidin-5-ol
- SMILES
- OC1=CN=C(N=C1)N1CCNCC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 21108511
- ChEMBL
- CHEMBL3544644
- ZINC
- ZINC000026898689
- Predicted Properties
Property Value Source logP -0.71 Chemaxon pKa (Strongest Acidic) 8.16 Chemaxon pKa (Strongest Basic) 8.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.28 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 49.83 m3·mol-1 Chemaxon Polarizability 18.65 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon