| CAS Number | 1393442-31-3 |
| Catalog Number | AG009X3K(AGN-PC-0WAB4Y) |
| Chemical Name | 5-Bromo-2-methoxy-4-piperidinopyrimidine |
| IUPAC Name | 5-bromo-2-methoxy-4-piperidin-1-ylpyrimidine |
| InChI | InChI=1S/C10H14BrN3O/c1-15-10-12-7-8(11)9(13-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3 |
| InChI Key | GGTHUCYSSKLAJY-UHFFFAOYSA-N |
| MDL Number | MFCD22383695 |
| Molecular Formula | C10H14BrN3O |
| Molecular Weight | 272.1417 |
| SMILES | COc1ncc(c(n1)N1CCCCC1)Br |
| Synonyms | 5-BROMO-2-METHOXY-4-PIPERIDINOPYRIMIDINE,
1393442-31-3,
KM3814,
ZINC95495565,
V2939,
C10H14BrN3O,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.146g/mol |
| Monoisotopic Mass | 271.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number