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

HCID 12450582CAS 66521-66-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nccc(-c2cccnc2)n1
InChIKey
LQHQKYWYKPLKCH-UHFFFAOYSA-N
Molecular formula
C9H8N4
Average molar mass
172.19 g/mol
Monoisotopic mass
172.07489627

Names & identifiers

Preferred name
4-(Pyridin-3-yl)pyrimidin-2-amine
IUPAC
4-pyridin-3-ylpyrimidin-2-amine
English name
4-(Pyridin-3-yl)pyrimidin-2-amine
Molecular formula
C9H8N4
Molecular weight
172.19

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
64.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
189 · 189-191 °C
Boiling point
439.9 · 439.9±37.0 °C(Predicted)
Density
1.259 · 1.259±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

wgk
WGK 3
hs_code
29339900
risk_code
25-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T

Chemistry & industry

Applications

Uses4-(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.

Upstream & downstream products

Suppliers50 total

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]

Related reactions

7 records
New reaction record

Linked notes

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