Methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
Basic information
- CAS
6380-94-5- Standard SMILES
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c([N+](=O)[O-])c1- InChIKey
IGEFVDJQFCQCST-UHFFFAOYSA-N- Molecular formula
- C14H15N3O6
- Average molar mass
- 321.28 g/mol
- Monoisotopic mass
- 321.09608521
Names & identifiers
- Preferred name
- Methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Names & synonyms
6380-94-5STK509183Methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylatemethyl 4-(4-hydroxy-3-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatemethyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylateOprea1_808666DTXSID70387597AKOS000358106AKOS025244787AB00106581-01methyl 4-(4-hydroxy-3-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Database identifiers
- CAS
6380-94-5- PubChem CID
- 2896151
- DTXSID
DTXSID70387597
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 555
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…