2-Chloro-4-(methylamino)-5-aminopyrimidine - CAS 17587-95-0

Catalog:	BB013177
Product Name:	2-Chloro-4-(methylamino)-5-aminopyrimidine
CAS:	17587-95-0
Synonyms:	2-chloro-N4-methylpyrimidine-4,5-diamine; 2-chloro-4-N-methylpyrimidine-4,5-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-N-methylpyrimidine-4,5-diamine
Description:	2-Chloro-4-(methylamino)-5-aminopyrimidine (CAS# 17587-95-0) is a useful research chemical.
Molecular Weight:	158.59
Molecular Formula:	C5H7ClN4
Canonical SMILES:	CNC1=NC(=NC=C1N)Cl
InChI:	InChI=1S/C5H7ClN4/c1-8-4-3(7)2-9-5(6)10-4/h2H,7H2,1H3,(H,8,9,10)
InChI Key:	VDGJDQNGSRECJM-UHFFFAOYSA-N
Boiling Point:	387.4 °C at 760 mmHg
Density:	1.447 g/cm³
LogP:	1.40810

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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Related Functional Groups

Amines and Anilines

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Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0359239
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.0359239
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8