| CAS Number | 876028-69-2 |
| Catalog Number | AG00GUBG(AGN-PC-0I7VQJ) |
| Chemical Name | 2-(tert-Butyl)-4-(1-methylcyclopropyl)-6-(piperazin-1-yl)pyrimidine |
| IUPAC Name | 2-tert-butyl-4-(1-methylcyclopropyl)-6-piperazin-1-ylpyrimidine |
| InChI | InChI=1S/C16H26N4/c1-15(2,3)14-18-12(16(4)5-6-16)11-13(19-14)20-9-7-17-8-10-20/h11,17H,5-10H2,1-4H3 |
| InChI Key | FFPRWFIBQNZWDL-UHFFFAOYSA-N |
| MDL Number | MFCD22741910 |
| Molecular Formula | C16H26N4 |
| Molecular Weight | 274.4044 |
| SMILES | CC(C)(C)C1=NC(=CC(=N1)C1(C)CC1)N1CCNCC1 |
| Synonyms | 2-(tert-Butyl)-4-(1-methylcyclopropyl)-6-(piperazin-1-yl)pyrimidine,
876028-69-2,
SCHEMBL4390504,
DTXSID30739553,
FFPRWFIBQNZWDL-UHFFFAOYSA-N,
CS-D0091,
3900AC,
MFCD22741910,
ZINC91301362,
AKOS016011704,
AK123192,
AS-42079,
AJ-129621,
AX8247370,
2-tert-Butyl-4-(1-methylcyclopropyl)-6-(piperazin-1-yl)pyrimidine,
2-tert-butyl-4-piperazin-1-yl-6-(1-methylcyclopropyl)-pyrimidine,
C16H26N4,
Pyrimidine, 2-(1,1-dimethylethyl)-4-(1-methylcyclopropyl)-6-(1-piperazinyl)-,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.412g/mol |
| Monoisotopic Mass | 274.216g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number