| CAS Number | 1503527-77-2 |
| Catalog Number | AG00ATH1(AGN-PC-0WOAF9) |
| Chemical Name | 4-(Piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine |
| IUPAC Name | 4-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C12H19N5/c1-2-8-17(7-1)12-14-4-3-11(15-12)16-9-5-13-6-10-16/h3-4,13H,1-2,5-10H2 |
| InChI Key | NDLRILBJDPEPJO-UHFFFAOYSA-N |
| MDL Number | MFCD26650168 |
| Molecular Formula | C12H19N5 |
| Molecular Weight | 233.3128 |
| SMILES | C1CCN(C1)c1nccc(n1)N1CCNCC1 |
| Synonyms | 4-(piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine,
1503527-77-2,
MFCD26650168,
ZINC84518702,
AKOS023449827,
F1912-0177,
4-Piperazin-1-yl-2-pyrrolidin-1-yl-pyrimidine,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.319g/mol |
| Monoisotopic Mass | 233.164g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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