| CAS Number | 1353989-80-6 |
| Catalog Number | AG009HZX(AGN-PC-0H0Y23) |
| Chemical Name | 1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H18N4O2/c18-13(19)9-2-1-5-17(7-9)12-6-11(14-8-15-12)16-10-3-4-10/h6,8-10H,1-5,7H2,(H,18,19)(H,14,15,16) |
| InChI Key | BITRMGDPKRDFDN-UHFFFAOYSA-N |
| MDL Number | MFCD21098612 |
| Molecular Formula | C13H18N4O2 |
| Molecular Weight | 262.3076 |
| SMILES | O=C(C1CCCN(C1)C1=CC(=NC=N1)NC1CC1)O |
| Synonyms | 1353989-80-6,
1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid,
1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidine-3-carboxylic acid,
AKOS024464608,
AK160523,
AX8293639,
CS-0060768,
ST24037457,
1-(6-Cyclopropylaminopyrimidin-4-yl)piperidine-3-carboxylic acid,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.313g/mol |
| Monoisotopic Mass | 262.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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