CAS 179343-23-8 6-(2,6-Dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (HCID 5328120)

基本情報

CAS: 179343-23-8
標準SMILES: Nc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1
InChIKey: HGIPWJYTPOHUGK-UHFFFAOYSA-N
分子式: C13H9Br2N5
平均分子量: 395.05 g/mol
単同位体質量: 392.92247

名称と識別子

優先名称: 6-(2,6-Dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
IUPAC: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
英語名: 6-(2,6-dibroMophenyl)pyrido[2,3-d]pyriMidine-2,7-diaMine
分子式: C13H9Br2N5
分子量: 395.05

名称と別名

6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine179343-23-8DTXSID604161436-(2,6-dibromophenyl)pyrido(2,3-d)pyrimidine-2,7-diamineRefChem:539137DTXCID60366992Acetyl-CoA Carboxylase-IN-16-(2,6-dibromophenyl)pyrido-[2,3-d]pyrimidine-2,7-diaminePyrido[2,3-d]pyrimidine-2,7-diamine, 6-(2,6-dibromophenyl)-6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7-diamineC13H9Br2N56-arylpyrido[2,3-d]pyrimidine deriv. 18

名称をさらに表示

MFCD12828288CHEMBL57531ACS Chem. Biol. Compound 1BDBM3436orb1745079SCHEMBL81241432v58HGIPWJYTPOHUGK-UHFFFAOYSA-N

データベース識別子

CAS: 179343-23-8
PubChem CID: 5328120
DTXSID: DTXSID60416143
ChEMBL: CHEMBL57531
Nikkaji: J2.690.188J

物性

構造計算による物性

XLogP: 3.1
極性表面積: 90.7 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 20
形式電荷: 0
複雑度: 335

物理化学的性質

融点: 284 °C · 284 °C (decomp)
沸点: 547.9 · 547.9±60.0 °C(Predicted)
比重(密度): 1.922 · 1.922±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: Solid
酸解離定数(Pka): 4 · 4.00±0.30(Predicted)
色: Off-white to light yellow

化学と産業

応用分野

使用6-(2,6-Dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has been found in 3D-QSAR studies to be a potential fibroblast growth factor receptor 1 inhibitor.