| CAS Number | 1159823-83-2 |
| Catalog Number | AG00HD67 |
| Chemical Name | Ethyl 2-(5-bromopyrimidin-2-ylamino)acetate |
| IUPAC Name | ethyl 2-[(5-bromopyrimidin-2-yl)amino]acetate |
| InChI | InChI=1S/C8H10BrN3O2/c1-2-14-7(13)5-12-8-10-3-6(9)4-11-8/h3-4H,2,5H2,1H3,(H,10,11,12) |
| InChI Key | MSJIEFRRPDPTHH-UHFFFAOYSA-N |
| MDL Number | MFCD12068355 |
| Molecular Formula | C8H10BrN3O2 |
| Molecular Weight | 260.0879 |
| SMILES | O=C(OCC)CNC1=NC=C(Br)C=N1 |
| Synonyms | ETHYL 2-(5-BROMOPYRIMIDIN-2-YLAMINO)ACETATE,
1159823-83-2,
Ethyl 2-((5-bromopyrimidin-2-yl)amino)acetate,
DTXSID70695129,
MFCD12068355,
ZINC44137205,
AKOS013187072,
AS-31390,
Ethyl N-(5-bromopyrimidin-2-yl)glycinate,
A-1965,
(5-bromopyrimidin-2-ylamino)acetic acid ethyl ester,
(5-bromo-pyrimidin-2-ylamino)-acetic acid ethyl ester,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.091g/mol |
| Monoisotopic Mass | 258.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number