AG007298

4425-56-3 | 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

AG007298

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CAS Number	4425-56-3
Catalog Number	AG007298(AGN-PC-0JLR62)
Chemical Name	2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
IUPAC Name	2,4-dioxo-1H-pyrimidine-5-carbonitrile
InChI	InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
InChI Key	HAUXRJCZDHHADG-UHFFFAOYSA-N
MDL Number	MFCD00051958
Molecular Formula	C5H3N3O2
Molecular Weight	137.0962
SMILES	N#CC1=CNC(NC1=O)=O
Synonyms	5-cyano-6-aryl-2-thiouracil, 5-cyanouracil, 5-Cyanouracil, 4425-56-3, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2,4-dihydroxypyrimidine-5-carbonitrile, CHEMBL443038, 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-, NSC667760, 5-cyano-2,4(1H,3H)-Pyrimidinedione, 2,4-dioxo-1H-pyrimidine-5-carbonitrile, 5-Cyano uracil, NSC12931, NSC 12931, NSC 44192, 2,4-Dihydroxy-5-pyrimidinecarbonitrile, 2,4-Dihydroxy-pyrimidine-5-carbonitrile, PubChem14994, ACMC-1CTTU, 5-Cyanouracil, AldrichCPR, AC1L2UL1, KSC588A4T, SCHEMBL189451, SCHEMBL20630523, 4425-56-3 5-Cyanouracil, CTK4I8049, CTK7C9053, ZINC16356, DTXSID70196080, HAUXRJCZDHHADG-UHFFFAOYSA-N, 5-cyano-2,4-dihydroxy pyrimidine, NSC44192, ANW-47155, BDBM50124205, CC-772, MFCD00051958, NSC-12931, NSC-44192, SBB055898, WT1941, AKOS005207152, AKOS006221480, AKOS015856573, AC-7400, AN-9022, CS-W002248, NSC-667760, PS-5544, RP20326, KS-00000L48, AJ-08386, AK-26661, QC-10339, SC-23805, SY006044, TS-00031, AB0024949, AB0093477, AB1000660, DB-011862, TC-060106, 4CH-001620, AM20100146, FT-0620353, FT-0649990, W6315, MFCD00051958 (95%), M-8112, 16442-EP2281563A1, 16442-EP2316459A1, 425D563, I03-0138, J-517427, I14-107888, Z1741982219, 2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-2,4-dioxo-, InChI=1/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10, null, C5H3N3O2, C5-H3-N3-O2, CID78145, A7030, 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo- (6CI,7CI,8CI,9CI),

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.023g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	137.098g/mol
Monoisotopic Mass	137.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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