| CAS Number | 94615-68-6 |
| Catalog Number | AG00IIEB(AGN-PC-03XJVR) |
| Chemical Name | 5-(tert-Butyl)pyrimidin-2-amine |
| IUPAC Name | 5-tert-butylpyrimidin-2-amine |
| InChI | InChI=1S/C8H13N3/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3,(H2,9,10,11) |
| InChI Key | ATDUQDKYHUGGSO-UHFFFAOYSA-N |
| MDL Number | MFCD18260345 |
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.2089 |
| SMILES | C(C)(C)(C)C=1C=NC(=NC1)N |
| Synonyms | 94615-68-6,
5-(tert-Butyl)pyrimidin-2-amine,
5-t-Butylpyrimidinyl-2-amine,
5-tert-Butylpyrimidin-2-amine,
5-(t-Butyl)pyrimidin-2-amine,
SCHEMBL2054624,
DTXSID40629274,
MFCD18260345,
ZINC45817362,
AKOS012857964,
AS-48612,
2-Pyrimidinamine,5- -,
2-Pyrimidinamine, 5-(1,1-dimethylethyl)- (9CI),
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.213g/mol |
| Monoisotopic Mass | 151.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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