| CAS Number | 2137757-59-4 |
| Catalog Number | AG01EJFU |
| Chemical Name | 6-(3-aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride |
| IUPAC Name | 6-(3-aminopyrrolidin-1-yl)-3-methyl-1,3-diazinane-2,4-dione;dihydrochloride |
| InChI | InChI=1S/C9H16N4O2.2ClH/c1-12-8(14)4-7(11-9(12)15)13-3-2-6(10)5-13;;/h6-7H,2-5,10H2,1H3,(H,11,15);2*1H |
| InChI Key | LJNHOZRZOMJMLK-UHFFFAOYSA-N |
| MDL Number | MFCD31456765 |
| Molecular Formula | C9H16Cl2N4O2 |
| Molecular Weight | 283.1549 |
| SMILES | Cl.Cl.CN1C(=O)NC(N2CC(N)CC2)=CC1=O |
| Synonyms | 6-(3-aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride,
2137757-59-4,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.169g/mol |
| Monoisotopic Mass | 284.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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