Basic information
- CAS
5948-68-5- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1O- InChIKey
XVQLAIHJGSGKQJ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- 1,2,3,4-Tetrahydro-4-(2-hydroxyphenyl)-6-Methyl-2-oxo-5-pyriMidinecarboxylic acid ethyl ester
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
5948-68-5ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID90337913RefChem:343673DTXCID50289000ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateEthyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMFCD001285011,2,3,4-tetrahydro-4-(2-hydroxyphenyl)-6-methyl-2-oxo-5-Pyrimidinecarboxylic acid ethyl esterOprea1_770263Oprea1_804667CBDivE_008971
Show more names
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-hydroxyphenyl)-6-methyl-2-oxo-, ethyl ester
CHEMBL455664SCHEMBL5342389SCHEMBL31705449XVQLAIHJGSGKQJ-UHFFFAOYSA-NSTK367174AKOS000629592AKOS016042864SB60340
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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