2,5-Bis(2'-((2''-(di methylamino)ethyl)thio)-5'-methylpyrimidin-4'-yl)thiophene
基本情報
- CAS
131407-82-4- 標準SMILES
Cc1cnc(SCCN(C)C)nc1-c1ccc(-c2nc(SCCN(C)C)ncc2C)s1- InChIKey
IVXSFLLHQDZPEH-UHFFFAOYSA-N- 分子式
- C22H30N6S3
- 平均分子量
- 474.7 g/mol
- 単同位体質量
- 474.1694085
名称と識別子
- 優先名称
- 2,5-Bis(2'-((2''-(di methylamino)ethyl)thio)-5'-methylpyrimidin-4'-yl)thiophene
- IUPAC
- 2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]-5-methylpyrimidin-4-yl]thiophen-2-yl]-5-methylpyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine
名称と別名
2,5-Bis(2'-((2''-(di methylamino)ethyl)thio)-5'-methylpyrimidin-4'-yl)thiopheneNSC619008131407-82-4NSC 619008NSC-619008119184-12-2HJ76Z2SBM3CHEMBL154605DTXSID601570292,5(5-MePyr-SEtNMe2)ThiopheneEthanamine, 2,2'-[2,5-thiophenediylbis[(5-methyl-4,2-pyrimidinediyl)thio]]bis[N,N-dimethyl-[2-({4-[5-(2-{[2-(dimethylamino)ethyl]sulfanyl}-5-methylpyrimidin-4-yl)thiophen-2-yl]-5-methylpyrimidin-2-yl}sulfanyl)ethyl]dimethylamine
名称をさらに表示
2,5-Bis[2-[[2-dimethylaminoethyl]thio]-5-methylpyrimidin-4-yl]thiophene2,2'-{Thiophene-2,5-diylbis[(5-methylpyrimidine-4,2-diyl)sulfanediyl]}bis(N,N-dimethylethan-1-amine)2-[4-[5-[2-(2-dimethylaminoethylsulfanyl)-5-methyl-pyrimidin-4-yl]-2-thienyl]-5-methyl-pyrimidin-2-yl]sulfanyl-N,N-dimethyl-ethanamineETHANAMINE, 2,2'-[2,5-THIOPHENEDIYLBIS[(5-METHYL-4,2-PYRIMIDINEDIYL)THIO]]BIS[N,N-DIMETHYL
データベース識別子
- CAS
131407-82-4- PubChem CID
- 358881
- DTXSID
DTXSID60157029- ChEMBL
CHEMBL154605- UNII
- HJ76Z2SBM3
- Nikkaji
- J373.935J
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 137 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 10
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 481
関連反応
0 件
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