AG00CAQI

3346-23-4 | 2,4-Diamino-6-hydroxy-5-nitropyrimidine

AG00CAQI

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CAS Number	3346-23-4
Catalog Number	AG00CAQI(AGN-PC-0R8ZOF)
Chemical Name	2,4-Diamino-6-hydroxy-5-nitropyrimidine
IUPAC Name	2,4-diamino-5-nitro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H5N5O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChI Key	XNFGVBWYGFPSDN-UHFFFAOYSA-N
MDL Number	MFCD01365774
Molecular Formula	C4H5N5O3
Molecular Weight	171.1142
NSC Number	44924
SMILES	O=[N+](C1=C(O)N=C(N)N=C1N)[O-]
Synonyms	3346-23-4, 2,6-Diamino-5-nitropyrimidin-4-ol, 2,4-Diamino-6-hydroxy-5-nitropyrimidine, 2,6-diamino-5-nitropyrimidin-4(3H)-one, CHEMBL571066, 4(3H)-Pyrimidinone,2,6-diamino-5-nitro-, B57, NSC44924, AC1L63GV, AC1Q5A9U, SCHEMBL3919290, CTK4H0619, CTK8I2568, KS-00000MMP, DTXSID20286344, XNFGVBWYGFPSDN-UHFFFAOYSA-N, BDBM50378555, FCH843443, MFCD01365774, MFCD18071489, NSC-44924, ZINC16989893, 2,4-diamino-5-nitropyrimidin-6-one, AKOS006277052, AKOS030242318, GS-5638, AK327615, SC-84133, 2,6-diamino-5-nitro-1H-pyrimidin-4-one, DB-010225, DB-081823, 4CH-001489, CS-0045632, FT-0666372, 1-DECYNE, D0E4UI, AR-1D4754, CID239615, 38239-32-6,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	171.116g/mol
Monoisotopic Mass	171.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number