| CAS Number | 497228-78-1 |
| Catalog Number | AG00DAUH(AGN-PC-0WB4UX) |
| Chemical Name | Isopropyl 3-(2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)propanoate |
| IUPAC Name | propan-2-yl 3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate |
| InChI | InChI=1S/C11H17N3O3/c1-6(2)17-9(15)5-4-8-7(3)13-11(12)14-10(8)16/h6H,4-5H2,1-3H3,(H3,12,13,14,16) |
| InChI Key | IKDMULZBPOZJQM-UHFFFAOYSA-N |
| MDL Number | MFCD03300451 |
| Molecular Formula | C11H17N3O3 |
| Molecular Weight | 239.2710 |
| SMILES | N1C(N)=NC(=C(CCC(OC(C)C)=O)C=1O)C |
| Synonyms | 497228-78-1,
CHEMBRDG-BB 7396087,
ISOPROPYL 3-(2-AMINO-4-HYDROXY-6-METHYL-5-PYRIMIDINYL)PROPANOATE,
CTK4J1608,
DTXSID00650544,
ZX-CM017380,
MFCD03300451,
ZINC16265494,
AKOS022185081,
MCULE-7697223880,
ACM497228781,
AJ-68843,
Y-0279,
Isopropyl 3-(2-amino-4-hydroxy-6-methylpyrimidin-5-yl)propanoate,
Isopropyl3-(2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)propanoate,
Propan-2-yl 3-(2-amino-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propanoate,
propan-2-yl 3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)prop,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.275g/mol |
| Monoisotopic Mass | 239.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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