tert-butyl N-{[3-(butylamino)-1,2,4-triazin-6-yl]methyl}carbamate - CAS 2081124-53-8

Name: tert-butyl N-{[3-(butylamino)-1,2,4-triazin-6-yl]methyl}carbamate
Brand: BOC Sciences
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Catalog:	BB016319
Product Name:	tert-butyl N-{[3-(butylamino)-1,2,4-triazin-6-yl]methyl}carbamate
CAS:	2081124-53-8
Synonyms:	N-[[3-(butylamino)-1,2,4-triazin-6-yl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[3-(butylamino)-1,2,4-triazin-6-yl]methyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[[3-(butylamino)-1,2,4-triazin-6-yl]methyl]carbamate
Description:	tert-butyl N-{[3-(butylamino)-1,2,4-triazin-6-yl]methyl}carbamate (CAS# 2081124-53-8 ) is a useful research chemical.
Molecular Weight:	281.36
Molecular Formula:	C13H23N5O2
Canonical SMILES:	CCCCNC1=NC=C(N=N1)CNC(=O)OC(C)(C)C
InChI:	InChI=1S/C13H23N5O2/c1-5-6-7-14-11-15-8-10(17-18-11)9-16-12(19)20-13(2,3)4/h8H,5-7,9H2,1-4H3,(H,16,19)(H,14,15,18)
InChI Key:	LKYBBUGMOKVIQT-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-10005788-B2	Bicyclic fused pyrimidine compounds as TAM inhibitors	20150812
US-2017044164-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812
US-2018009815-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812
US-9708333-B2	Fused bicyclic 1,2,4-triazine compounds as TAM inhibitors	20150812
WO-2017027717-A1	Bicyclic fused pyrimidine compounds as tam inhibitors	20150812

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.18517499
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	281.18517499
Rotatable Bond Count:	8
Topological Polar Surface Area:	89
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3