| CAS Number | 1133115-97-5 |
| Catalog Number | AG003RMR(AGN-PC-07XU9L) |
| Chemical Name | Methyl 2-amino-4-isobutylpyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H15N3O2/c1-6(2)4-8-7(9(14)15-3)5-12-10(11)13-8/h5-6H,4H2,1-3H3,(H2,11,12,13) |
| InChI Key | SROBEXFILORSFR-UHFFFAOYSA-N |
| MDL Number | MFCD11855918 |
| Molecular Formula | C10H15N3O2 |
| Molecular Weight | 209.2450 |
| SMILES | COC(=O)c1cnc(nc1CC(C)C)N |
| Synonyms | METHYL 2-AMINO-4-ISOBUTYLPYRIMIDINE-5-CARBOXYLATE,
1133115-97-5,
ACMC-2099iu,
CTK4A8234,
DTXSID60674943,
ANW-16612,
MFCD11855918,
ZINC38537373,
AKOS015854885,
RTR-002567,
AJ-96097,
AX8229602,
TR-002567,
ST24025209,
Z7449,
A-5001,
I03-864,
methyl 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylate,
C10H15N3O2,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.249g/mol |
| Monoisotopic Mass | 209.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number