| CAS Number | 64269-43-8 |
| Catalog Number | AG00IBCE(AGN-PC-0LLC1U) |
| Chemical Name | 5-Nitro-2-(1-piperidinyl)-pyrimidine |
| IUPAC Name | 5-nitro-2-piperidin-1-ylpyrimidine |
| InChI | InChI=1S/C9H12N4O2/c14-13(15)8-6-10-9(11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2 |
| InChI Key | BHMJEQQVWJLRFP-UHFFFAOYSA-N |
| MDL Number | MFCD00697482 |
| Molecular Formula | C9H12N4O2 |
| Molecular Weight | 208.2172 |
| SMILES | [O-][N+](=O)c1cnc(nc1)N1CCCCC1 |
| Synonyms | 64269-43-8,
Pyrimidine, 5-nitro-2-(1-piperidinyl)-,
5-Nitro-2-(1-piperidinyl)-pyrimidine,
5-Nitro-2-(piperidin-1-yl)pyrimidine,
AC1NMHNX,
Oprea1_870970,
5-nitro-2-piperidylpyrimidine,
2-piperidino-5-nitropyrimidine,
ZINC5344174,
5-nitro-2-piperidin-1-ylpyrimidine,
AKOS024278849,
MCULE-4989254062,
ST024297,
ZINC05344174,
CID5026092,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.221g/mol |
| Monoisotopic Mass | 208.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number