| CAS Number | 2089291-61-0 |
| Catalog Number | AG01DTSD |
| Chemical Name | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-fluoro-7-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]- |
| IUPAC Name | 5-fluoro-7-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine |
| InChI | InChI=1S/C16H17FN4O2/c1-22-10-21-8-13(17)14-15(19-9-20-16(14)21)18-7-11-3-5-12(23-2)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,18,19,20) |
| InChI Key | SWNGEYVJHIGFNL-UHFFFAOYSA-N |
| MDL Number | MFCD31567595 |
| Molecular Formula | C16H17FN4O2 |
| Molecular Weight | 316.3302 |
| SMILES | COCn1cc(c2c1ncnc2NCc1ccc(cc1)OC)F |
| Synonyms | 5-Fluoro-N-(4-methoxybenzyl)-7-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
2089291-61-0,
AKOS030629907,
ZINC584907029,
CS-0030352,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.336g/mol |
| Monoisotopic Mass | 316.134g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number