Basic information
- CAS
61319-99-1- Standard SMILES
CC(C)(C)c1ncccn1- InChIKey
PXEJBTJCBLQUKS-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- Pyrimidine, 2-(1,1-dimethylethyl)-
- IUPAC
- 2-tert-butylpyrimidine
- English name
- Pyrimidine, 2-(1,1-dimethylethyl)- (9CI)
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-t-ButylpyrimidinePyrimidine, 2-(1,1-dimethylethyl)-61319-99-12-(1,1-Dimethylethyl)pyrimidineDTXSID1073579RefChem:377497DTXCID40430142-tert-butylpyrimidine2-(tert-butyl)pyrimidine2-tert.butyl-pyrimidineSCHEMBL179267SCHEMBL662736
Show more names
2-tert-butyl-pyrimidinePyrimidine, 2-(1,1-dimethylethyl)- (9CI)
SCHEMBL788327SCHEMBL5711286PXEJBTJCBLQUKS-UHFFFAOYSA-NAKOS006272277
Database identifiers
- CAS
61319-99-1- PubChem CID
- 94597
- DTXSID
DTXSID1073579- Nikkaji
- J470.162C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.3
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Pyrimidine, 2-(1,1-dimethylethyl)- (61319-99-1)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Related reactions
1 records
Compound notes
Loading…