4-(Pyridin-3-yl)pyrimidin-2-amine (HCID 12450582)

名称と識別子

優先名称: 4-(Pyridin-3-yl)pyrimidin-2-amine
IUPAC: 4-pyridin-3-ylpyrimidin-2-amine
現地名: 4-(ピリジン-3-イル)ピリミジン-2-アミン
英語名: 4-(Pyridin-3-yl)pyrimidin-2-amine
分子式: C9H8N4
分子量: 172.19

名称と別名

66521-66-24-(pyridin-3-yl)pyrimidin-2-amineDTXSID00498802RefChem:289415DTXCID00449612835-883-94-(3-Pyridinyl)-2-aminopyrimidine4-(3-Pyridinyl)-2-pyrimidine amine4-(3-Pyridinyl)-2-pyrimidinamine2-Amino-4-(3-pyridinyl)-pyrimidine4-Pyridin-3-ylpyrimidin-2-amine2-AMINO-4-(3-PYRIDYL)PYRIMIDINE

名称をさらに表示

4-(ピリジン-3-イル)ピリミジン-2-アミン4-(3-ピリジニル)-2-ピリミジンアミン4-(3-ピリジル)ピリミジン-2-アミン2-アミノ-4-(3-ピリジニル)ピリミジン4-(3-ピリジニル)ピリミジン-2-アミンBUTTPARK 41\09-83)-2-pyrimidine amine4-(3-Pyridyl)-2-pyrimidinamineNilotinib 3-Pyridinyl Impurity4-(3-Pyridyl)-2-pyrimidineamine2-PyriMidinaMine,4-(3-pyridinyl)-

MFCD013178322-amino-4-pyridyl-pyrimidine2-PYRIMIDINAMINE, 4-(3-PYRIDINYL)-4-(pyridin-3-yl)pyrimidin-2-ylamine4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINECHEMBL12367982xdk4-(3-pyridyl)pyrimidin-2-amine

データベース識別子

CAS: 66521-66-2
PubChem CID: 12450582
DTXSID: DTXSID00498802
ChEMBL: CHEMBL1236798
EC Number: 835-883-9
Nikkaji: J2.809.846D

物性

構造計算による物性

XLogP: 0.4
極性表面積: 64.7 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: 1
重原子数: 13
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 189 · 189-191 °C
沸点: 439.9 · 439.9±37.0 °C(Predicted)
比重(密度): 1.259 · 1.259±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 2.76 · 2.76±0.10(Predicted)
色: オフホワイトからペールイエロー
InChI: InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C2=CC=CN=C2)=N1

化学的性質

化学的特性White to off-white or brown solid.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)

安全データ

wgk: WGK 3
hs_code: 29339900
risk_code: 25-20/21/22
hazard_code: T
safety_code: 45-36/37
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用4-(3-Pyridinyl)-2-pyrimidinamine serves as an intermediate compound during the synthesis of Nilotinib. Nilotinib is a selective tyrosine kinase receptor inhibitor used in the therapy of chronic myelogenous leukemia.

上流・下流製品情報

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

4-(ピリジン-3-イル)ピリミジン-2-アミン

基本情報