AG003NAH

5900-40-3 | 6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

AG003NAH

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CAS Number	5900-40-3
Catalog Number	AG003NAH(AGN-PC-0JQ9OG)
Chemical Name	6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
IUPAC Name	6-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
InChI	InChI=1S/C6H5N3O2/c1-3-4(2-7)5(10)9-6(11)8-3/h1H3,(H2,8,9,10,11)
InChI Key	XUBWKPSLBXEADF-UHFFFAOYSA-N
MDL Number	MFCD07355755
Molecular Formula	C6H5N3O2
Molecular Weight	151.1228
NSC Number	521448
SMILES	CC1=C(C#N)C(=O)NC(=O)N1
Synonyms	5900-40-3, 6-Methyl-5-cyanouracil, 6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-, NSC521448, AC1Q2D5W, AC1L6Y89, AC1Q2P10, SCHEMBL6694829, CTK5A9205, KS-00000EHY, DTXSID90325890, ZINC1604967, 3600AJ, MFCD07355755, SBB078270, AKOS005137381, MCULE-7141137597, NSC-521448, AJ-28090, AS-31690, SY017223, EN300-14972, Z-4404, 2,4-dihydroxy-6-methylpyrimidine-5-carbonitrile, MFCD07355755 (97+%), Z118257506, 4-methyl-2,6-dioxo-1,3-dihydropyrimidine-5-carbonitrile, 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimi-dine-5-carbonitrile, C6H5N3O2, CID351378,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.038g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	151.125g/mol
Monoisotopic Mass	151.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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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