1(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl ester
基本情報
- CAS
137394-53-7- 標準SMILES
COC(=O)Cn1ccc(=O)n(CCCn2c(=O)ccn(C)c2=O)c1=O- InChIKey
NNBBSENIJHOQCR-UHFFFAOYSA-N- 分子式
- C15H18N4O6
- 平均分子量
- 350.33 g/mol
- 単同位体質量
- 350.12263431
名称と識別子
- 優先名称
- 1(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl ester
- IUPAC
- methyl 2-[3-[3-(3-methyl-2,6-dioxopyrimidin-1-yl)propyl]-2,4-dioxopyrimidin-1-yl]acetate
- 英語名
- 1(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H )-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl ester
- 分子式
- C15H18N4O6
- 分子量
- 350.33
名称と別名
137394-53-71(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl estermethyl 2-[3-[3-(3-methyl-2,6-dioxopyrimidin-1-yl)propyl]-2,4-dioxopyrimidin-1-yl]acetateDTXSID401601721(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H )-pyrimidinyl)propyl)-3,4-dihmethyl {3-[3-(3-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)propyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}acetate1(2H)-Pyrimidineacetic acid, 3[3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)propyl]-3,4-dihydro-2,4-dioxo-,methyl ester1(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H )-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl ester
データベース識別子
- CAS
137394-53-7- PubChem CID
- 145626
- DTXSID
DTXSID40160172
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 108 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 671
物理化学的性質
- 沸点
- 506.7 · 506.7±60.0 °C(Predicted)
- 比重(密度)
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- -2.14 · -2.14±0.20(Predicted)
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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