AG001V01

16462-28-5 | 5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-

AG001V01

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CAS Number	16462-28-5
Catalog Number	AG001V01(AGN-PC-0O4OY7)
Chemical Name	5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-
IUPAC Name	6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
InChI	InChI=1S/C5H4N4O/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
InChI Key	KFDKBQHGALFUAJ-UHFFFAOYSA-N
MDL Number	MFCD00767571
Molecular Formula	C5H4N4O
Molecular Weight	136.1115
SMILES	N#CC1=CN=C(O)N=C1N
Synonyms	16462-28-5, 4-amino-2-hydroxypyrimidine-5-carbonitrile, 4-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile, 4-Amino-2-oxo-1,2-dihydro-5-pyrimidinecarbonitrile, 6-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile, 4-Amino-2-oxo-1,2-dihydro-pyrimidine-5-carbonitrile, 6-amino-2-oxo-1H-pyrimidine-5-carbonitrile, EC-000.1627, 6-amino-2-oxo-3-hydropyrimidine-5-carbonitrile, 5-cyanocytosine, ZERO/005645, AC1LIRQE, AC1Q6C8P, SCHEMBL3825045, CTK4D1868, DTXSID90358683, KFDKBQHGALFUAJ-UHFFFAOYSA-N, ZINC492965, BBL012794, MFCD00767571, SBB013556, STK784021, STK935569, AKOS002664606, AKOS005665306, AKOS015902256, ACN-000497, MCULE-6407322719, AJ-23171, HC210469, DB-064545, ST4125060, 4-amino-2-oxo-1H-pyrimidine-5-carbonitrile, FT-0750171, L-3021, 5-Pyrimidinecarbonitrile,6-amino-1,2-dihydro-2-oxo-, I14-13515, F1918-0073, AR-1G0617, CID910101, 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo-, 5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-, 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI), 165314-99-8,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.039g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	136.114g/mol
Monoisotopic Mass	136.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.3A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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