AG00DD78

54030-56-7 | 6-Amino-2-methylthio-3-methyluracil

AG00DD78

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CAS Number	54030-56-7
Catalog Number	AG00DD78(AGN-PC-0JOISC)
Chemical Name	6-Amino-2-methylthio-3-methyluracil
IUPAC Name	6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one
InChI	InChI=1S/C6H9N3OS/c1-9-5(10)3-4(7)8-6(9)11-2/h3H,7H2,1-2H3
InChI Key	LYWPZKCXMFJSGI-UHFFFAOYSA-N
MDL Number	MFCD00235002
Molecular Formula	C6H9N3OS
Molecular Weight	171.2202
NSC Number	57899
SMILES	O=C1N(C)C(SC)=NC(N)=C1
Synonyms	54030-56-7, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one, 6-Amino-2-methylthio-3-methyluracil, 6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one, Pyrimidin-4(3H)-one, 6-amino-3-methyl-2-methylthio-, 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one, AK-67709, 4-amino-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, NSC57899, AC1L6GFQ, AC1Q6BX3, 6-Amino-3-methyl-2-methylsulfanyl-3H-pyrimidin-4-one, SCHEMBL9409123, CTK4J9385, KS-00000OCI, DTXSID50288856, LYWPZKCXMFJSGI-UHFFFAOYSA-N, ZINC332674, FCH840833, MFCD00235002, NSC 57899, NSC-57899, STL295905, AKOS005133671, CS-W020383, MCULE-7573936796, AJ-19555, DS-16695, AX8208487, DB-071780, FT-0661947, Z2802, 2-(Methylthio)-3-methyl-6-aminopyrimidin-4(3H)-one, 6-Amino-3-methyl-2-(methylthio)-4(3H)-pyrimidinone, 4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)-, 6-Amino-3-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone #, 6-amino-3-methyl-2-meth-ylthio-4-oxo-3,4-dihydro-pyrimidine, 6-amino-3-methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one, C6H9N3OS, AR-1L2796, CID245691, ACN-054500, 6-Amino-2-(methylthio)-3-methyluracil, 97% - 1G 1g, 61531-76-8,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.047g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.218g/mol
Monoisotopic Mass	171.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	84A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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