| CAS Number | 2044712-97-0 |
| Catalog Number | AG01BXW7 |
| Chemical Name | 1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile |
| IUPAC Name | 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile |
| InChI | InChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14) |
| InChI Key | SJOPQKKTPUJSKS-UHFFFAOYSA-N |
| MDL Number | MFCD30488059 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CC1N(C2CC2)C(=O)NC(=O)C=1C#N |
| Synonyms | 1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile,
2044712-97-0,
AKOS033982878,
ZINC536949453,
Z2692093647,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number