AG004MRP

863028-98-2 | 4-(Methylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid

AG004MRP

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CAS Number	863028-98-2
Catalog Number	AG004MRP(AGN-PC-01V60P)
Chemical Name	4-(Methylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid
IUPAC Name	4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C7H9N3O2S/c1-8-5-4(6(11)12)3-9-7(10-5)13-2/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChI Key	YULKSKDPASSZNR-UHFFFAOYSA-N
MDL Number	MFCD11617313
Molecular Formula	C7H9N3O2S
Molecular Weight	199.2303
SMILES	O=C(C1=CN=C(SC)N=C1NC)O
Synonyms	4-(Methylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid, 863028-98-2, 4-(Methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid, SCHEMBL16370470, CTK8C5005, DTXSID00593245, KS-000024PB, 3495AC, ANW-73728, FCH897775, MFCD11617313, ZINC85225021, AKOS006317701, DS-2673, AK-26820, AJ-127682, AX8242030, DB-076594, ST2405447, TC-162473, 4CH-017730, CS-0061722, FT-0744437, 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid, C7H9N3O2S, 4-(Methylamino)-2-(methylthio)-5-pyrimidinecarboxylicacid,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.228g/mol
Monoisotopic Mass	199.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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