AC1LCMS0
methyl 6-(4-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Oprea1_048264|Oprea1_120563|BAS 00619621|SR-01000407509-1|methyl 4-(4-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|4-(4-Iodo-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic|Methyl 4-(4-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #|METHYL 4-(4-IODOPHENYL)-1,6-DIMETHYL-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE|methyl 6-(4-iodophenyl)-3,4-dimethyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxyl ate|methyl 6-(4-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate|4-(4-Iodo-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
| Molecular Formula | C14H15IN2O3 |
|---|---|
| Molecular Weight | 386.01273 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.01273 |
| Monoisotopic Mass | 386.01273 |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 301321-52-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)I)C(=O)OC |
| InChIKey | NGPDDPNMBQQRMZ-UHFFFAOYSA-N |
Product Overview
AC1LCMS0 (CAS 301321-52-8), with molecular formula C14H15IN2O3 and molecular weight 386.01273 g/mol. IUPAC: methyl 6-(4-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
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