2-Chloro-4-(methylamino)-5-nitropyrimidine - CAS 89283-49-8

Catalog:	BB039404
Product Name:	2-Chloro-4-(methylamino)-5-nitropyrimidine
CAS:	89283-49-8
Synonyms:	2-chloro-N-methyl-5-nitro-4-pyrimidinamine; 2-chloro-N-methyl-5-nitropyrimidin-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-N-methyl-5-nitropyrimidin-4-amine
Description:	2-Chloro-4-(methylamino)-5-nitropyrimidine (CAS# 89283-49-8) is a useful research chemical.
Molecular Weight:	188.57
Molecular Formula:	C5H5ClN4O2
Canonical SMILES:	CNC1=NC(=NC=C1[N+](=O)[O-])Cl
InChI:	InChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9)
InChI Key:	POTFNHOCCZSOOA-UHFFFAOYSA-N
LogP:	1.67610

Publication Number	Title	Priority Date
US-10294206-B2	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-10577329-B2	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2016311774-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2018141910-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2019202790-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0101031
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.0101031
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9