N-[4-[(3R)-3-Dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine

HCID 71270217

基本情報

標準SMILES: COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChIKey: FKHGTXBBNISWTC-QGZVFWFLSA-N
分子式: C26H29N7O3
平均分子量: 487.6 g/mol
単同位体質量: 487.23318781

名称と識別子

優先名称: N-[4-[(3R)-3-Dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
IUPAC: N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine

名称と別名

N-[4-[(3R)-3-Dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amineN-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1-methylindol-3-yl)pyrimidin-2-amineSCHEMBL14719125FKHGTXBBNISWTC-QGZVFWFLSA-N

データベース識別子

PubChem CID: 71270217

物性

構造計算による物性

XLogP: 4
極性表面積: 104 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 36
形式電荷: 0
複雑度: 752