Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
14903-93-6- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])s1- InChIKey
JPBWYJNCYGGSKF-UHFFFAOYSA-N- Molecular formula
- C12H13N3O5S
- Average molar mass
- 311.32 g/mol
- Monoisotopic mass
- 311.0575917
Names & identifiers
- Preferred name
- Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
14903-93-6Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateNSC332467DTXSID70318528NSC-3324675-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-(5-nitro-2-thienyl)-2-oxo-, ethyl esterDS-015539Ethyl 6-methyl-4-(5-nitro-2-thienyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 6-methyl-4-(5-nitro-2-thienyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Database identifiers
- CAS
14903-93-6- PubChem CID
- 332933
- DTXSID
DTXSID70318528
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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