| CAS Number | 1393845-84-5 |
| Catalog Number | AG00ISDM(AGN-PC-0WAZIW) |
| Chemical Name | 5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3 |
| InChI Key | IKFLTSHIUZFYDM-UHFFFAOYSA-N |
| MDL Number | MFCD22383939 |
| Molecular Formula | C8H8BrN3O |
| Molecular Weight | 242.0726 |
| SMILES | [Br]C=2(C1(=C(OC)N=CN=C1N(C=2)C)) |
| Synonyms | 5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine,
1393845-84-5,
ZX-RL000520,
MFCD22383939,
ZINC76818160,
AKOS016028522,
FCH1634148,
FG-0716,
MCULE-3997793156,
KS-00001Q44,
OR303008,
5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.076g/mol |
| Monoisotopic Mass | 240.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number