Basic information
- CAS
314052-22-7- Standard SMILES
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1I- InChIKey
HDQPWINJCHICLO-UHFFFAOYSA-N- Molecular formula
- C17H21IN2O4
- Average molar mass
- 444.26 g/mol
- Monoisotopic mass
- 444.0546
Names & identifiers
- Preferred name
- 2-Ethoxyethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- 2-ethoxyethyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
- English name
- 2-ethoxyethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- Molecular formula
- C17H21IN2O4
- Molecular weight
- 444.26
Names & synonyms
2-ethoxyethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateSTK086911AKOS000654984AKOS0219860402-ethoxyethyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylateST013396AG-690/11638195SR-01000408235SR-01000408235-12-ethoxyethyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,3,6-trihydropyrimidine-5-c arboxylate314052-22-75-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-iodophenyl)-1,6-dimethyl-2-oxo-, 2-ethoxyethyl ester
Database identifiers
- CAS
314052-22-7- PubChem CID
- 2863311
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 540.8 · 540.8±50.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 10.75 · 10.75±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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