| CAS Number | 1284686-48-1 |
| Catalog Number | AG00HRTC(AGN-PC-0WR9ZQ) |
| Chemical Name | 4-Cyclopropyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-cyclopropyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C13H17N3O2/c17-12(18)10-8-14-13(15-11(10)9-4-5-9)16-6-2-1-3-7-16/h8-9H,1-7H2,(H,17,18) |
| InChI Key | VAMIBZMEUNARNZ-UHFFFAOYSA-N |
| MDL Number | MFCD16505885 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | OC(=O)c1cnc(nc1C1CC1)N1CCCCC1 |
| Synonyms | 1284686-48-1,
4-Cyclopropyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid,
4-Cyclopropyl-2-piperidin-1-yl-pyrimidine-5-carboxylic acid,
ZINC43558536,
AKOS010968218,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.298g/mol |
| Monoisotopic Mass | 247.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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