| CAS Number | 897006-87-0 |
| Catalog Number | AG01AN8T |
| Chemical Name | 2-(2-cyclohexyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid |
| IUPAC Name | 2-(2-cyclohexyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid |
| InChI | InChI=1S/C13H18N2O3/c1-8-10(7-11(16)17)13(18)15-12(14-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,16,17)(H,14,15,18) |
| InChI Key | DQOCIEFJROOMPV-UHFFFAOYSA-N |
| MDL Number | MFCD13499591 |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.2936 |
| SMILES | CC1=C(CC(O)=O)C(=O)NC(C2CCCCC2)=N1 |
| Synonyms | 2-(2-cyclohexyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid,
897006-87-0,
ZINC16887299,
AKOS010560955,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.298g/mol |
| Monoisotopic Mass | 250.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number