| CAS Number | 221170-22-5 |
| Catalog Number | AG00I4CE(AGN-PC-0WCU6G) |
| Chemical Name | 5-(2-azidoethyl)pyrimidine-2,4(1H,3H)-dione |
| IUPAC Name | 5-(2-azidoethyl)-1H-pyrimidine-2,4-dione |
| InChI | InChI=1S/C6H7N5O2/c7-11-9-2-1-4-3-8-6(13)10-5(4)12/h3H,1-2H2,(H2,8,10,12,13) |
| InChI Key | CGDHLCLUWHFNSJ-UHFFFAOYSA-N |
| MDL Number | MFCD24453188 |
| Molecular Formula | C6H7N5O2 |
| Molecular Weight | 181.1521 |
| SMILES | [N-]=[N+]=NCCc1c[nH]c(=O)[nH]c1=O |
| Synonyms | 5-(2-azidoethyl)pyrimidine-2,4(1H,3H)-dione,
221170-22-5,
5-(2-Azidoethyl)uracil,
SCHEMBL13685832,
CGDHLCLUWHFNSJ-UHFFFAOYSA-N,
ALBB-022873,
ZX-AN021387,
MFCD24453188,
ZINC34551303,
AKOS015998071,
FCH1645806,
T5558,
2,4(1H,3H)-pyrimidinedione, 5-(2-azidoethyl)-,
5-(2-azidoethyl)-1H-pyrimidine-2,4-dione,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.155g/mol |
| Monoisotopic Mass | 181.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number