2,5-Diamino-4,6-dichloropyrimidine - CAS 55583-59-0

Catalog:	BB029102
Product Name:	2,5-Diamino-4,6-dichloropyrimidine
CAS:	55583-59-0
Synonyms:	4,6-dichloropyrimidine-2,5-diamine; 4,6-dichloropyrimidine-2,5-diamine

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloropyrimidine-2,5-diamine
Description:	2,5-Diamino-4,6-dichloropyrimidine (CAS# 55583-59-0) is a useful reagent for the preparation of Abacavir impurities, carbocyclic and hexenopyranosy nucleosides.
Molecular Weight:	179.01
Molecular Formula:	C4H4Cl2N4
Canonical SMILES:	C1(=C(N=C(N=C1Cl)N)Cl)N
InChI:	InChI=1S/C4H4Cl2N4/c5-2-1(7)3(6)10-4(8)9-2/h7H2,(H2,8,9,10)
InChI Key:	ZXWGHENZKVQKPX-UHFFFAOYSA-N
MDL:	MFCD00792652
LogP:	2.11020

Publication Number	Title	Priority Date
CN-113292507-A	Preparation method of 2-amino-6-chloroguanine and intermediate thereof	20210625
CN-111606891-A	(1,1, 1-trichloro-2) carbamate derivative and preparation method and application thereof	20200415
CN-110922408-A	3H- [1,2,3] triazolo [4,5-d ] pyrimidin-5-amine derivatives and uses thereof	20191212
CN-110922408-B	3H- [1,2,3] triazolo [4,5-d ] pyrimidin-5-amine derivatives and uses thereof	20191212
WO-2021117733-A1	Acrylamide compounds	20191209

PMID	Publication Date	Title	Journal
22989530	20121015	Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening	Bioorganic & medicinal chemistry letters

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9813015
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.9813015
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1