| CAS Number | 72419-30-8 |
| Catalog Number | AG00JGAS(AGN-PC-0WCAJ4) |
| Chemical Name | Ethyl 4-hydroxy-2-isopropylpyrimidine-5-carboxylate |
| IUPAC Name | ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-8(6(2)3)12-9(7)13/h5-6H,4H2,1-3H3,(H,11,12,13) |
| InChI Key | UNLGDDICUOMAIG-UHFFFAOYSA-N |
| MDL Number | MFCD11047085 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.2298 |
| SMILES | CCOC(C1C(=O)NC(C(C)C)=NC=1)=O |
| Synonyms | ethyl 4-hydroxy-2-isopropylpyrimidine-5-carboxylate,
72419-30-8,
SCHEMBL2898616,
UNLGDDICUOMAIG-UHFFFAOYSA-N,
ALBB-021743,
ZX-AN037332,
MFCD11047085,
ZINC50103047,
AKOS011298554,
AKOS015831247,
MCULE-4632177668,
DA-41561,
NS-02339,
FT-0715249,
ethyl 6-oxo-2-(propan-2-yl)-1,6-dihydropyrimidine-5-carboxylate,
5-pyrimidinecarboxylic acid, 4-hydroxy-2-(1-methylethyl)-, ethyl ester,
T1367,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.233g/mol |
| Monoisotopic Mass | 210.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number