| CAS Number | 722471-91-2 |
| Catalog Number | AG019H85 |
| Chemical Name | 6-Amino-1-benzyl-5-[(2-methoxyethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-1-benzyl-5-(2-methoxyethylamino)pyrimidine-2,4-dione |
| InChI | InChI=1S/C14H18N4O3/c1-21-8-7-16-11-12(15)18(14(20)17-13(11)19)9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20) |
| InChI Key | AYHQTOVLVMFQQG-UHFFFAOYSA-N |
| MDL Number | MFCD03957731 |
| Molecular Formula | C14H18N4O3 |
| Molecular Weight | 290.3177 |
| SMILES | COCCNC1C(=O)NC(=O)N(CC2=CC=CC=C2)C=1N |
| Synonyms | 6-amino-1-benzyl-5-[(2-methoxyethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione,
722471-91-2,
6-Amino-1-benzyl-5-(2-methoxy-ethylamino)-1H-pyrimidine-2,4-dione,
CTK7B3512,
ZINC3313523,
AKOS000115945,
MCULE-9007965756,
NE12641,
EN300-02840,
Z55848301,
AC1M6S7X,
AC1Q4G59,
ZINC03313523,
CID2429298,
6-amino-1-benzyl-5-(2-methoxyethylamino)pyrimidine-2,4-dione,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.13789g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.32g/mol |
| Monoisotopic Mass | 290.13789g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number