Methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate

HCID 5282532

基本情報

標準SMILES: COC(=O)c1c(C)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey: ZOZLIRDDECXJGM-UHFFFAOYSA-N
分子式: C14H18N2O4S
平均分子量: 310.37 g/mol
単同位体質量: 310.09872823

名称と識別子

優先名称: Methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
IUPAC: methyl 3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

名称と別名

491613-98-0methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylateThieno[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-, methyl esterMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL3826819ZOZLIRDDECXJGM-UHFFFAOYSA-NDB-370680CS-0452922P16456methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylatemethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(isobutyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

名称をさらに表示

Thieno[2,3-d]pyrimidine-5-carboxylicacid,1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-,methylester

データベース識別子

PubChem CID: 5282532

物性

構造計算による物性

XLogP: 2.4
極性表面積: 95.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 468