2-Amino-4,5-dichloropyrimidine - CAS 403854-21-7

Catalog:	BB024478
Product Name:	2-Amino-4,5-dichloropyrimidine
CAS:	403854-21-7
Synonyms:	4,5-dichloro-2-pyrimidinamine; 4,5-dichloropyrimidin-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5-dichloropyrimidin-2-amine
Description:	2-Amino-4,5-dichloropyrimidine (CAS# 403854-21-7) is a useful research chemical.
Molecular Weight:	163.99
Molecular Formula:	C4H3Cl2N3
Canonical SMILES:	C1=C(C(=NC(=N1)N)Cl)Cl
InChI:	InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChI Key:	LCNPRNSOGSLJFZ-UHFFFAOYSA-N
Boiling Point:	352.5 °C at 760 mmHg
Density:	1.606 g/cm³
MDL:	MFCD13193667
LogP:	1.94680

Publication Number	Title	Priority Date
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115
WO-2021143729-A1	Compound, composition and functional molecule with multi-target inhibiting effect and use thereof	20200115
WO-2021048342-A1	Antibacterial compounds	20190913
CN-105769871-A	Application of NIK protein kinase inhibitor in serving as medicine for treating liver diseases	20160303
WO-2017041771-A1	Process for the preparation of ceritinib using "in situ" prepared 5-methyl-2-(1 -methylethoxy)-4-(4-piperidinyl)-benzenamine monohydrochloride (1 :1 ) as an intermediate	20150909

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.9704025
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4