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

HCID 12450582CAS 66521-66-2
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Grundinformationen

Standard-SMILES
Nc1nccc(-c2cccnc2)n1
InChIKey
LQHQKYWYKPLKCH-UHFFFAOYSA-N
Summenformel
C9H8N4
Durchschnittliche Molmasse
172,19 g/mol
Monoisotopische Masse
172,07489627

Namen und Bezeichner

Bevorzugter Name
4-(Pyridin-3-yl)pyrimidin-2-amine
IUPAC
4-pyridin-3-ylpyrimidin-2-amine
Englischer Name
4-(Pyridin-3-yl)pyrimidin-2-amine
Summenformel
C9H8N4
Molmasse
172.19

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
64,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
189 · 189-191 °C
Siedepunkt
439.9 · 439.9±37.0 °C(Predicted)
Dichte
1.259 · 1.259±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

wgk
WGK 3
hs_code
29339900
risk_code
25-20/21/22
hazard_code
T
safety_code
45-36/37
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Chemie und Industrie

Anwendungen

Verwenden4-(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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

济南百隆化学有限公司[email protected] · [email protected]
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]

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