| CAS Number | 1381289-58-2 |
| Catalog Number | AG009CL4 |
| Chemical Name | Ribocil |
| IUPAC Name | 2-[1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26) |
| InChI Key | ZSXCVAIJFUEGJR-UHFFFAOYSA-N |
| MDL Number | MFCD29472281 |
| Molecular Formula | C19H22N6OS |
| Molecular Weight | 382.4826 |
| SMILES | CNC1=NC=C(C=N1)CN1CC(CCC1)C1=NC(=CC(N1)=O)C=1SC=CC1 |
| Synonyms | ribocil,
Ribocil,
1381289-58-2,
AKOS030441997,
AKOS030526469,
CS-5272,
HY-19487,
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| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.486g/mol |
| Monoisotopic Mass | 382.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number