| CAS Number | 78641-13-1 |
| Catalog Number | AG01A05O(AGN-PC-0WO3JV) |
| Chemical Name | 4,6-Di-tert-butylpyrimidin-2-amine |
| IUPAC Name | 4,6-ditert-butylpyrimidin-2-amine |
| InChI | InChI=1S/C12H21N3/c1-11(2,3)8-7-9(12(4,5)6)15-10(13)14-8/h7H,1-6H3,(H2,13,14,15) |
| InChI Key | WDGJQAKMBHPTAB-UHFFFAOYSA-N |
| MDL Number | MFCD14588414 |
| Molecular Formula | C12H21N3 |
| Molecular Weight | 207.3152 |
| SMILES | NC1=NC(C(C)(C)C)=CC(C(C)(C)C)=N1 |
| Synonyms | 4,6-di-tert-butylpyrimidin-2-amine,
78641-13-1,
2-Amino-4,6-di-tert-butylpyrimidin,
SCHEMBL18007575,
ZINC39271146,
4,6-Di-tert-butylpyrimidine-2-amine,
AKOS010265993,
2-Amino-4,6-di(tert-butyl)pyrimidine,
MCULE-7634337568,
NE37387,
Z729558252,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.321g/mol |
| Monoisotopic Mass | 207.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number