Basic information
- CAS
303137-12-4- Standard SMILES
CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2[N+](=O)[O-])NC(=O)N1C- InChIKey
GUKLNNOASPYBFV-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- Benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- benzyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
- English name
- benzyl 4-{2-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C20H19N3O5
- Molecular weight
- 381.38
Names & synonyms
MLS001210133SMR000515050benzyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatebenzyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate1,6-Dimethyl-4-(2-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl esterOprea1_514703Oprea1_731515CHEMBL1578045BDBM53056cid_2864488HMS2820K15STK100551
Show more names
benzyl 4-{2-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-, phenylmethyl ester
AKOS000654964AKOS021986188EU-0069258AK-968/11533074SR-01000410021SR-01000410021-1BRD-A53140308-001-04-82-keto-3,4-dimethyl-6-(2-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
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Compound notes
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