2-Amino-4-(3-pyridyl)pyrimidine - CAS 66521-66-2

Catalog:	BB033053
Product Name:	2-Amino-4-(3-pyridyl)pyrimidine
CAS:	66521-66-2
Synonyms:	4-(3-pyridinyl)-2-pyrimidinamine; 4-pyridin-3-ylpyrimidin-2-amine

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Computed Properties

IUPAC Name:	4-pyridin-3-ylpyrimidin-2-amine
Description:	Intermediate in the preparation of Nilotinib.
Molecular Weight:	172.19
Molecular Formula:	C9H8N4
Canonical SMILES:	C1=CC(=CN=C1)C2=NC(=NC=C2)N
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)
InChI Key:	LQHQKYWYKPLKCH-UHFFFAOYSA-N
Boiling Point:	439.9 °C at 760 mmHg
Density:	1.259 g/cm³
MDL:	MFCD01317832
LogP:	1.70200

Publication Number	Title	Priority Date
WO-2021074138-A1	Synthesis of 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine	20191014
US-10280153-B2	Process for the preparation of pure nilotinib and its salt	20170516
WO-2018106850-A1	Deuterated aminopyridine compounds	20161207
WO-2018098473-A1	Reagents and methods for analysis of proteins and metabolites targeted by covalent probes	20161128
EP-3301097-A2	[1]benzothieno[3',2':4,5]imidazo[1,2-a]pyridine derivatives and related compounds for use in organic light-emitting devices (oleds)	20160930

PMID	Publication Date	Title	Journal
20718493	20100826	Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency	Journal of medicinal chemistry
20471842	20100601	Design and synthesis of new anticancer pyrimidines with multiple-kinase inhibitory effect	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.074896272
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.074896272
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4