| CAS Number | 1820649-41-9 |
| Catalog Number | AG00I0OC(AGN-PC-0WR47O) |
| Chemical Name | 4-(sec-Butyl)pyrimidin-5-amine |
| IUPAC Name | 4-butan-2-ylpyrimidin-5-amine |
| InChI | InChI=1S/C8H13N3/c1-3-6(2)8-7(9)4-10-5-11-8/h4-6H,3,9H2,1-2H3 |
| InChI Key | ATZMSMCADZIILI-UHFFFAOYSA-N |
| MDL Number | MFCD28024851 |
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.2089 |
| SMILES | CCC(c1ncncc1N)C |
| Synonyms | 4-(SEC-BUTYL)PYRIMIDIN-5-AMINE,
1820649-41-9,
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| Complexity | 116 |
| 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 | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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