AG006A75

702674-56-4 | N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-yl)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

AG006A75

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CAS Number	702674-56-4
Catalog Number	AG006A75(AGN-PC-00FHI2)
Chemical Name	N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-yl)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide
IUPAC Name	N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
InChI	InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
InChI Key	DMMILYKXNCVKOJ-UHFFFAOYSA-N
MDL Number	MFCD10565925
Molecular Formula	C20H23BrN8O
Molecular Weight	471.3536
SMILES	BrC=1C(=NC(=NC1)NC=1C=C(C=CC1)NC(=O)N1CCCC1)NCCC1=CN=CN1
Synonyms	BX-912, 702674-56-4, BX912, N-[3-[[5-BROMO-4-[[2-(1H-IMIDAZOL-5-YL)ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE, BX 912, C20H23BrN8O, 1-Pyrrolidinecarboxamide, N-[3-[[5-bromo-4-[[2-(1H-imidazol-4-yl)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-, N-(3-(4-(2-(1H-imidazol-4-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide, N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide, Pyrrolidine-1-carboxylic acid (3-(5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino)-phenyl)-amide, Pyrrolidine-1-carboxylic acid (3-{5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino}-phenyl)-amide, MLS006011015, GTPL8007, SCHEMBL3869633, CHEMBL3916849, SCHEMBL15825412, BDBM17052, CHEBI:91357, CTK2H5413, KS-00000XOZ, AOB2905, DTXSID30471901, EX-A945, SYN1027, BCPP000309, HMS3244G17, HMS3244G18, HMS3244H17, HMS3265I23, HMS3265I24, HMS3265J23, HMS3265J24, HMS3654D11, BCP01898, ZINC3820559, 2293AH, ABP000487, MFCD10565925, RS0070, AKOS005266650, AKOS026750229, BX912/BX-912/, BX912; BX 912, AN-4990, BCP9000468, CS-0079, KIN0000291, SB19281, NCGC00346687-01, AS-16197, BC638587, HY-11005, SC-93170, SMR004702813, FT-0700351, S1275, SW220162-1, W-5445, 674P564, J-522977, BRD-K49669041-001-01-9, 1-PYRROLIDINECARBOXAMIDE, N-[3-[[5-BROMO-4-[[2-(1H, N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide, N-(3-((4-((2-(1H-imidazol-5-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide, N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide, N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide, D0IX7Y, cc-391, CID11754511, CID 11754511, A2806, A11149, 1-PYRROLIDINECARBOXAMIDE,N-[3-[[5-BROMO-4-[[2- ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-, N-(3-(4-(2-(1H-imidazol-5-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	470.118g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	471.363g/mol
Monoisotopic Mass	470.118g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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