AG000M2I

124491-42-5 | Ethanone, 1-(2-amino-5-pyrimidinyl)-

AG000M2I

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CAS Number	124491-42-5
Catalog Number	AG000M2I(AGN-PC-001FQQ)
Chemical Name	Ethanone, 1-(2-amino-5-pyrimidinyl)-
IUPAC Name	1-(2-aminopyrimidin-5-yl)ethanone
InChI	InChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
InChI Key	UYVRMDUESKFUJX-UHFFFAOYSA-N
MDL Number	MFCD09263847
Molecular Formula	C6H7N3O
Molecular Weight	137.1393
SMILES	CC(C1=CN=C(N)N=C1)=O
Synonyms	1-(2-AMINOPYRIMIDIN-5-YL)ETHANONE, 124491-42-5, 1-(2-Aminopyrimidin-5-yl)ethan-1-one, SCHEMBL1647572, DTXSID80560359, 1-(2-amino-5-pyrimidinyl)ethanone, 1-(2-azanylpyrimidin-5-yl)ethanone, FCH868006, MFCD09263847, ZINC34299888, AKOS006331237, CA-1723, QC-8447, Ethanone, 1-(2-amino-5-pyrimidinyl)-, AJ-87861, AK137936, AS-49945, AX8259504, ETHANONE,1-(2-AMINO-5-PYRIMIDINYL)-, A805238, I14-35795,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.142g/mol
Monoisotopic Mass	137.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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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