AG000SOX

1263475-93-9 | 4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidine-5-carboxylic acid

AG000SOX

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CAS Number	1263475-93-9
Catalog Number	AG000SOX(AGN-PC-0WOLU7)
Chemical Name	4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidine-5-carboxylic acid
IUPAC Name	4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C16H18FN3O4S/c1-9(2)13-12(15(21)22)14(10-5-7-11(17)8-6-10)19-16(18-13)20(3)25(4,23)24/h5-9H,1-4H3,(H,21,22)
InChI Key	CHMLXRMRDRNBMV-UHFFFAOYSA-N
MDL Number	MFCD08063916
Molecular Formula	C16H18FN3O4S
Molecular Weight	367.3952
SMILES	FC1=CC=C(C=C1)C1=NC(=NC(=C1C(=O)O)C(C)C)N(S(=O)(=O)C)C
Synonyms	4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsufonyl)amino]pyrimidine-5-carboxylic acid, 1263475-93-9, 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsufonyl)amino]pyrimidine-5-carboxylicacid, SCHEMBL4780281, ZINC95932565, 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, Not Available,

Complexity	572
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	367.1g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	367.395g/mol
Monoisotopic Mass	367.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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