| CAS Number | 1393845-67-4 |
| Catalog Number | AG00IWM3(AGN-PC-0WAZE4) |
| Chemical Name | ethyl 7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate |
| IUPAC Name | ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate |
| InChI | InChI=1S/C10H11N3O2/c1-3-15-10(14)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3 |
| InChI Key | DCXBCKYEFKOSOL-UHFFFAOYSA-N |
| MDL Number | MFCD22383951 |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.2132 |
| SMILES | O=C(OCC)C1(=NC=NC2(=C1C=CN2C)) |
| Synonyms | ethyl 7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate,
1393845-67-4,
KS-000024WT,
ZX-RL000556,
MFCD22383951,
ZINC76818123,
AKOS016028482,
EG-0727,
OR303029,
ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate,
Ethyl 7-methyl-7H-pyrrolo-[2,3-d]pyrimidine-4-carboxylate,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.217g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number