CAS 189744-46-5 2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine (HCID 16759175)

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基本情報

CAS: 189744-46-5
標準SMILES: Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1
InChIKey: KABDATZAOUSYES-UHFFFAOYSA-N
分子式: C17H20N4
平均分子量: 280.37 g/mol
単同位体質量: 280.16879664

概要

2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine is an aminopyrimidine.

名称と識別子

優先名称: 2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine
IUPAC: 2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrimidin-4-amine
英語名: 5-[(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-2-methyl-4-pyrimidinamine dihydrochloride
分子式: C17H20N4
分子量: 280.37

名称と別名

189744-46-5Ro10-58248X35VUU4YY2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamineCHEMBL1616116RO-10-58242-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrimidin-4-amine2-methyl-5-(4-phenyl-3,6-dihydro-2h-pyridin-1-ylmethyl)-pyrimidin-4-ylamine5-((3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)methyl)-2-methyl-4-pyrimidinamine5-[(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-2-methyl-4-pyrimidinamine4-Pyrimidinamine, 5-((3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl)-2-methyl-UNII-8X35VUU4YY

名称をさらに表示

RO 10-5824Ro 10-5824 dihydrochloride4-Pyrimidinamine, 5-[(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-2-methyl-5-[(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-2-methyl-4-pyrimidinamine dihydrochloride

2-methyl-5-((4-phenyl-5,6-dihydropyridin-1(2H)-yl)methyl)pyrimidin-4-amineSCHEMBL5021445SCHEMBL29380689CHEBI:93407KABDATZAOUSYES-UHFFFAOYSA-NDTXSID501029525BDBM50608789AKOS040749347

物性

構造計算による物性

XLogP: 2
極性表面積: 55 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 362

物理化学的性質

沸点: 456.7 · 456.7±45.0 °C(Predicted)
比重(密度): 1.186 · 1.186±0.06 g/cm3(Predicted)
貯蔵温度: Desiccate at RT
酸解離定数(Pka): 6.49 · 6.49±0.40(Predicted)

化学と産業

応用分野 · 1 件

使用The dopamine receptors play important role in cognition, memory, learning, and motor control (1). These receptors have been implicated as a therapeutic target for many psychiatric and neurological disorders. Ro 10-5824 Dihydrochloride is a selective dopamine D4receptor partial agonist (2).

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化合物ノート

読み込み中…

2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine