| CAS Number | 1694836-50-4 |
| Catalog Number | AG01C029 |
| Chemical Name | 5-chloro-6-(pyrrolidin-1-yl)pyrimidin-4-amine |
| IUPAC Name | 5-chloro-6-pyrrolidin-1-ylpyrimidin-4-amine |
| InChI | InChI=1S/C8H11ClN4/c9-6-7(10)11-5-12-8(6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12) |
| InChI Key | DHWABFOYIRULEY-UHFFFAOYSA-N |
| MDL Number | MFCD30299436 |
| Molecular Formula | C8H11ClN4 |
| Molecular Weight | 198.6527 |
| SMILES | NC1=C(Cl)C(N2CCCC2)=NC=N1 |
| Synonyms | 5-chloro-6-(pyrrolidin-1-yl)pyrimidin-4-amine,
1694836-50-4,
ZINC227840500,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.067224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.067224g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number