2-amino-6-chloropyrazine - CAS 33332-28-4

Catalog:	BB021669
Product Name:	2-amino-6-chloropyrazine
CAS:	33332-28-4
Synonyms:	6-chloro-2-pyrazinamine; 6-chloropyrazin-2-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-chloropyrazin-2-amine
Description:	2-amino-6-chloropyrazine (CAS# 33332-28-4) is a disubstituted pyrazine used in the preparation of A2B adenosine receptor antagonists and other biologically active compounds.
Molecular Weight:	129.55
Molecular Formula:	C4H4ClN3
Canonical SMILES:	C1=C(N=C(C=N1)Cl)N
InChI:	InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
InChI Key:	JTPXVCKCLBROOJ-UHFFFAOYSA-N
Boiling Point:	282.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.437 g/cm³
MDL:	MFCD00055024
LogP:	1.29340

Publication Number	Title	Priority Date
CN-112341437-A	Substituted pyrazine derivative and application thereof	20201221
CN-112409337-A	Substituted pyrazine derivative and application thereof	20201221
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
CN-111217760-A	Synthetic method of sulfachloropyrazine sodium	20200327
WO-2021097054-A1	6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient cftr activity	20191112

PMID	Publication Date	Title	Journal
22111927	20111222	Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing	Journal of medicinal chemistry
18656911	20080828	Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design	Journal of medicinal chemistry
15658854	20050127	Fragment-based lead discovery using X-ray crystallography	Journal of medicinal chemistry

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Related Functional Groups

Amines and Anilines

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[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
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2-Amino-4,5-dibromopyridine

GHS Hazard Statement:	H302 (90.48%): 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, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.0093748
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9