2-(2,6-Dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

HCID 71244810

基本情報

標準SMILES: COCCCOc1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIKey: ZJBRDDIVVRNTIU-UHFFFAOYSA-N
分子式: C29H37N3O2
平均分子量: 459.6 g/mol

名称と識別子

優先名称: 2-(2,6-Dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
IUPAC: 2-(2,6-dimethylphenyl)-4-(3-methoxypropoxy)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

名称と別名

CHEMBL3646986SCHEMBL14671897ZJBRDDIVVRNTIU-UHFFFAOYSA-NBDBM134553US8846656, 39-D2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

データベース識別子

PubChem CID: 71244810
ChEMBL: CHEMBL3646986

物性

構造計算による物性

XLogP: 6.3
極性表面積: 47.5 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: 8
重原子数: 34
形式電荷: 0
複雑度: 606