| CAS Number | 1365969-81-8 |
| Catalog Number | AG01F7BL(AGN-PC-3H54F7) |
| Chemical Name | tert-Butyl 3-(pyrimidin-2-ylamino)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(pyrimidin-2-ylamino)azetidine-1-carboxylate |
| InChI | InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-7-9(8-16)15-10-13-5-4-6-14-10/h4-6,9H,7-8H2,1-3H3,(H,13,14,15) |
| InChI Key | VFHMEWBMMDQOAT-UHFFFAOYSA-N |
| MDL Number | MFCD21602187 |
| Molecular Formula | C12H18N4O2 |
| Molecular Weight | 250.2969 |
| SMILES | O=C(N1CC(C1)Nc1ncccn1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(pyrimidin-2-ylamino)azetidine-1-carboxylate,
1365969-81-8,
ZX-RL005459,
ZINC79387570,
FCH1619966,
KS-7186,
OR306342,
F1901-3070,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.302g/mol |
| Monoisotopic Mass | 250.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number