CAS 160009-37-0 Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate (HCID 10424248)

基本情報

CAS: 160009-37-0
標準SMILES: COC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C
InChIKey: RMYXELUYVYVDAI-UHFFFAOYSA-N
分子式: C15H16FN3O2
平均分子量: 289.3 g/mol
単同位体質量: 289.12265497

名称と識別子

優先名称: Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate
IUPAC: methyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
英語名: Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)]pyrimidine-5-carboxylate
分子式: C15H16FN3O2
分子量: 289.3

名称と別名

160009-37-0Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylatemethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylatemethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylateRMYXELUYVYVDAI-UHFFFAOYSA-NSCHEMBL1752471DTXSID801142586AKOS000280350SB60076DB-297836Methyl 2-amino-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidine-5-carboxylateMethyl2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

名称をさらに表示

5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl esterMethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)]pyrimidine-5-carboxylate

Methyl 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-5-pyrimidinecarboxylateMethyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate; 5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester; Methyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

物性

構造計算による物性

XLogP: 2.6
極性表面積: 78.1 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 359

物理化学的性質

沸点: 498.1 · 498.1±55.0 °C(Predicted)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 1.98 · 1.98±0.10(Predicted)

化学と産業

応用分野 · 1 件

使用Methyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate is an intermediate in the synthesis of Rosuvastatin-d3 Sodium Salt (R700501), the labeled analogue of Rosuvastatin (R700500), a selective, competitive HMG-CoA reductase inhibitor. Antilipemic.