| CAS Number | 313505-80-5 |
| Catalog Number | AG00C64G(AGN-PC-0WB46A) |
| Chemical Name | 4-Tert-butyl-6-phenyl-2-pyrimidinamine |
| IUPAC Name | 4-tert-butyl-6-phenylpyrimidin-2-amine |
| InChI | InChI=1S/C14H17N3/c1-14(2,3)12-9-11(16-13(15)17-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17) |
| InChI Key | WRUMWHKCNMJMLF-UHFFFAOYSA-N |
| MDL Number | MFCD00559732 |
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.3049 |
| SMILES | C1(N)=NC(C2=CC=CC=C2)=CC(C(C)(C)C)=N1 |
| Synonyms | 4-TERT-BUTYL-6-PHENYL-2-PYRIMIDINAMINE,
313505-80-5,
4-tert-butyl-6-phenylpyrimidin-2-amine,
4-(tert-Butyl)-6-phenylpyrimidin-2-amine,
AC1NMJJM,
Oprea1_160419,
CTK4G6910,
DTXSID00407631,
CHEMBRDG-BB 5213240,
ZINC175377,
ZX-CM015297,
MFCD00559732,
AKOS022184388,
ACM313505805,
AJ-17619,
W-7306,
ZINC00175377,
CID5026984,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.311g/mol |
| Monoisotopic Mass | 227.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number