| CAS Number | 1357147-41-1 |
| Catalog Number | AG00IRN3(AGN-PC-0WAXXW) |
| Chemical Name | 7-tert-butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate |
| IUPAC Name | 7-O-tert-butyl 4-O-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate |
| InChI | InChI=1S/C14H17N3O4/c1-5-20-12(18)10-9-6-7-17(11(9)16-8-15-10)13(19)21-14(2,3)4/h6-8H,5H2,1-4H3 |
| InChI Key | XWJWIGDIHMKNHJ-UHFFFAOYSA-N |
| MDL Number | MFCD21333204 |
| Molecular Formula | C14H17N3O4 |
| Molecular Weight | 291.3025 |
| SMILES | CCOC(=O)C1=C2C=CN(C2=NC=N1)C(=O)OC(C)(C)C |
| Synonyms | 7-tert-butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate,
1357147-41-1,
ZX-RL003315,
MFCD21333204,
ZINC72137443,
AKOS015991237,
AG-0713,
RP15821,
OR310050,
tertbutylethylpyrrolodpyrimidinedicarboxylate,
KS-00002245,
7-tert-butyl 4-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.307g/mol |
| Monoisotopic Mass | 291.122g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number