2,4-Diamino-6-chloro-5-nitropyrimidine - CAS 6036-64-2

Name: 2,4-Diamino-6-chloro-5-nitropyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030667
Product Name:	2,4-Diamino-6-chloro-5-nitropyrimidine
CAS:	6036-64-2
Synonyms:	6-chloro-5-nitropyrimidine-2,4-diamine; 6-chloro-5-nitropyrimidine-2,4-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-5-nitropyrimidine-2,4-diamine
Description:	2,4-Diamino-6-chloro-5-nitropyrimidine (CAS# 6036-64-2 ) is a useful research chemical.
Molecular Weight:	189.56
Molecular Formula:	C4H4ClN5O2
Canonical SMILES:	C1(=C(N=C(N=C1Cl)N)N)[N+](=O)[O-]
InChI:	InChI=1S/C4H4ClN5O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H4,6,7,8,9)
InChI Key:	PQRPNYCCQLFXNK-UHFFFAOYSA-N
Boiling Point:	537.6 °C at 760 mmHg
Density:	1.818 g/cm³
LogP:	1.88820

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Related Functional Groups

Amines and Anilines

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Publication Number	Title	Priority Date
CN-108904503-A	Application of the chloro- 5- nitro -2,4- di-amino-pyrimidine of 6- in treatment chronic myelocytic leukemia drug	20180702
US-10329261-B1	Method of preparing 6-chloro-5-nitro-2,4-diaminopyrimidine and its application thereof	20180702
CN-108904503-B	Application of 6-chloro-5-nitro-2, 4-diaminopyrimidine in medicine for treating chronic granulocytic leukemia	20180702
US-2011172252-A1	Triazolo[4,5-d]pyramidine derivatives and their use as purine receptor antagonists	20080625
US-2013245044-A1	Triazolo[4, 5-d] pyramidine derivatives and their use as purine receptor antagonists	20080625

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0053521
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.0053521
Rotatable Bond Count:	0
Topological Polar Surface Area:	124
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8