Grundinformationen
- Standard-SMILES
COC(=O)c1c(-c2ccc(F)cc2)nc(O)nc1C(C)C- InChIKey
KWWCLAUZCCGNHS-UHFFFAOYSA-N- Summenformel
- C15H15FN2O3
- Durchschnittliche Molmasse
- 290,29 g/mol
- Monoisotopische Masse
- 290,10667051
Namen und Bezeichner
- Bevorzugter Name
- Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate
- IUPAC
- methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylate
- Englischer Name
- 5-PyriMidinecarboxylic acid, 4-(4-fluorophenyl)-1,2-dihydro-6-(1-Methylethyl)-2-oxo-, Methyl ester
- Summenformel
- C15H15FN2O3
- Molmasse
- 290.29
Namen und Synonyme
488798-37-4Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylateRefChem:356216Methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2-dihydropyrimidine-5-carboxylateMethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-2-hydroxy-6-(propan-2-yl)pyrimidine-5-carboxylate5-PyriMidinecarboxylic acid, 4-(4-fluorophenyl)-1,2-dihydro-6-(1-Methylethyl)-2-oxo-, Methyl esterSCHEMBL1751791SCHEMBL30716573SCHEMBL31676677DTXSID90468337
Weitere Namen anzeigen
Rosuvastatin Impurity 134Rosuvastatin Inhouse Impurity 2Rosuvastatin Intermediate ImpurityRosuvastatin Intermediate Impurity 25-Pyrimidinecarboxylic acid,4-(4-fluorophenyl)-1,2-dihydro-6...5-Pyrimidinecarboxylic acid, 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-, methyl ester
KWWCLAUZCCGNHS-UHFFFAOYSA-NMFCD27665415AKOS022172897methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1H-pyrimidine-5-carboxylateSB58705AS-74688F208984-(4-fluorophenyl)-2-hydroxy-6-isopropyl-5-methoxycarbonylpyrimidine
Datenbank-Bezeichner
- CAS
488798-37-4- PubChem CID
- 11543836
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 67,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 503
Physikochemische Eigenschaften
- Dichte
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.92 · 7.92±0.10(Predicted)
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