AG003M71

799842-07-2 | N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethane sulfonamide

AG003M71

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CAS Number	799842-07-2
Catalog Number	AG003M71(AGN-PC-0UFWUG)
Chemical Name	N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethane sulfonamide
IUPAC Name	N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
InChI	InChI=1S/C16H19BrFN3O2S/c1-10(2)14-13(9-17)15(11-5-7-12(18)8-6-11)20-16(19-14)21(3)24(4,22)23/h5-8,10H,9H2,1-4H3
InChI Key	PHEVHIWIKJRWDB-UHFFFAOYSA-N
MDL Number	MFCD08694308
Molecular Formula	C16H19BrFN3O2S
Molecular Weight	416.3084
SMILES	CS(=O)(N(C1=NC(C(C)C)=C(CBr)C(C2=CC=C(F)C=C2)=N1)C)=O
Synonyms	799842-07-2, N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethane sulfonamide, 5-(Bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine, AK-50766, ACMC-209vqr, SCHEMBL246597, CTK2H9563, DTXSID60586274, PHEVHIWIKJRWDB-UHFFFAOYSA-N, BCP10918, ANW-45409, MFCD08694308, ZINC35635760, AKOS000280338, AC-3406, AJ-91942, AN-13022, DS-15541, SC-23066, AX8216655, DB-037962, TC-134154, FT-0653120, ST24025671, W8519, A24852, 842B072, I09-1319, Methanesulfonamide,N-[5-(bromomethyl)-4-(4-fluorop, N-(4-(4-fluorophenyl)-5-(bromomethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide, N-(5-(Bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide, n-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide, N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethanesulfonamide, N-[4-(4-Fluorophenyl)-5-(bromomethyl)-6-isopropylpyrimidine-2-yl]-N-methylmethanesulfonamide, N-[5-(Bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide, N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-methanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-methanesulfonamide;5-(Bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine, N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropropyl-pyrimidine-2-yl]-N-methylmethane sulfonamide, C16H19BrFN3O2S, ACN-048316, 5- -4- -6-isopropyl-2-[methyl amino]pyrimidine, 5-(Bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[(methyl(methylsulfonyl)amino]pyrimidine, :N-[5-Bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-N-methylmethane sulfonamide,

Complexity	506
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	415.037g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	416.309g/mol
Monoisotopic Mass	415.037g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	71.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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