2-Amino-6-methylpyrazine - CAS 5521-56-2

Catalog:	BB028949
Product Name:	2-Amino-6-methylpyrazine
CAS:	5521-56-2
Synonyms:	6-methyl-2-pyrazinamine; 6-methylpyrazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-methylpyrazin-2-amine
Description:	2-Amino-6-methylpyrazine (CAS# 5521-56-2) is used in the preparation of heterocyclic amides containing pyridyl sulfones as TYK-2 signaling inhibitors useful in treatment of inflammatory and autoimmune diseases.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	CC1=CN=CC(=N1)N
InChI:	InChI=1S/C5H7N3/c1-4-2-7-3-5(6)8-4/h2-3H,1H3,(H2,6,8)
InChI Key:	UAOOJJPSCLNTOP-UHFFFAOYSA-N
Boiling Point:	246 °C at 760 mmHg
Density:	1.155 g/cm³
Appearance:	Off-white solid
MDL:	MFCD08235193
LogP:	0.94840

Publication Number	Title	Priority Date
CN-111662938-A	Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound	20200623
CN-111662938-B	Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound	20200623
CN-113025671-A	Application of nitrile hydratase derived from sinorhizobium meliloti in preparation of amide pyrazine compounds	20200623
WO-2020073011-A1	Compounds and compositions for treating conditions associated with apj receptor activity	20181005
TW-202028210-A	Compounds and compositions for treating conditions associated with apj receptor activity	20181005

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4