Butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
300667-72-5- Standard SMILES
CCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1- InChIKey
BPKNDDWPCNHIKB-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- Butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
300667-72-5Butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatebutyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate4-(4-Methoxy-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl esterMLS001204821CHEMBL1880729DTXSID801331666HMS2814G16SDA71423AKOS000637589SB58131SMR000504839
Show more names
ST50000116Butyl4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Database identifiers
- CAS
300667-72-5- PubChem CID
- 3090141
- DTXSID
DTXSID801331666- ChEMBL
CHEMBL1880729
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Experimental & physicochemical properties
Solubility14.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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