| CAS Number | 941209-04-7 |
| Catalog Number | AG019KSG(AGN-PC-0WODOS) |
| Chemical Name | 1,3-Dimethyl-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 1,3-dimethyl-5-(methylaminomethyl)pyrimidine-2,4-dione |
| InChI | InChI=1S/C8H13N3O2/c1-9-4-6-5-10(2)8(13)11(3)7(6)12/h5,9H,4H2,1-3H3 |
| InChI Key | VYDDVWFXIYSXKH-UHFFFAOYSA-N |
| MDL Number | MFCD09392375 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CNCC1C(=O)N(C)C(=O)N(C)C=1 |
| Synonyms | 1,3-dimethyl-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione,
941209-04-7,
1,3-dimethyl-5-[(methylamino)methyl]pyrimidine-2,4(1H,3H)-dione,
AC1Q416V,
CTK6I5472,
ZINC12505695,
AKOS009131223,
NE28980,
EN300-28235,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number