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Basic information
- CAS
85929-96-0- Standard SMILES
CC(C)(C)c1ncc(O)cn1- InChIKey
JARZKOYAUVCWCZ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.094963
Overview
2-tert-butylpyrimidin-5-ol is a hydroxypyrimidine.
Names & identifiers
- Preferred name
- 5-Pyrimidinol, 2-(1,1-dimethylethyl)-
- IUPAC
- 2-tert-butylpyrimidin-5-ol
Names & synonyms
85929-96-02-(1,1-dimethylethyl)-5-pyrimidinol5-Pyrimidinol, 2-(1,1-dimethylethyl)-DTXSID1072927RefChem:537792DTXCID30484972-tert-butylpyrimidin-5-ol2-(tert-Butyl)pyrimidin-5-ol2-tert-butyl-pyrimidin-5-olSCHEMBL1698272CHEBI:38952AKOS006304833
Show more names
AB58590PS-20381P19546Q27118049
Database identifiers
- CAS
85929-96-0- PubChem CID
- 163499
- DTXSID
DTXSID1072927- ChEBI
CHEBI:38952- Nikkaji
- J515.804D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Pyrimidinol, 2-(1,1-dimethylethyl)-: INACTIVE
Related reactions
6 records
Compound notes
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