AG002851

2022-85-7 | 2(1H)-Pyrimidinone, 6-amino-5-fluoro-

AG002851

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CAS Number	2022-85-7
Catalog Number	AG002851(AGN-PC-0O76SU)
Chemical Name	2(1H)-Pyrimidinone, 6-amino-5-fluoro-
EC Number	217-968-7
IUPAC Name	6-amino-5-fluoro-1H-pyrimidin-2-one
InChI	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
MDL Number	MFCD00006035
Molecular Formula	C4H4FN3O
Molecular Weight	129.0925
SMILES	O=C1NC(=C(F)C=N1)N
UNII	D83282DT06
Synonyms	5-Fluorocytosine, Alcobon, Ancobon, Ancotil, Flucytosine, 5-Fluorocytosine, flucytosine, 2022-85-7, Ancotil, Ancobon, 5-Fluorocystosine, Flucytosin, Fluocytosine, 5-FC, 5-Fluorocytosin, Fluorcytosine, Alcobon, 4-Amino-5-fluoropyrimidin-2(1H)-one, Flucytosinum, 4-Amino-5-fluoro-2(1H)-pyrimidinone, Ro 2-9915, Cytosine, 5-fluoro-, Flucitosina, 5-Flurocytosine, 5-Flucytosine, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-, 2-Hydroxy-4-amino-5-fluoropyrimidine, 5-fluoro cytosine, Flucitosina [DCIT], Flucystine, Ro 29915 E/265601, NSC 103805, Flucytosinum [INN-Latin], Ancobon (TN), Flucytosine (Ancobon), 4-Amino-5-fluoro-2-hydroxypyrimidine, 117969-88-7, 4-amino-5-fluoropyrimidin-2-ol, Flucytosine(Ancobon), UNII-D83282DT06, HSDB 3082, 2-Pyrimidinol, 4-amino-5-fluoro- (9CI), 6-Amino-2-oxo-5-fluoropyrimidine, EINECS 217-968-7, MFCD00006035, 6-amino-5-fluoro-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-), MLS000069463, CHEBI:5100, 4-AMINO-2-HYDROXY-5-FLUOROPYRIMIDINE, XRECTZIEBJDKEO-UHFFFAOYSA-N, NSC103805, D83282DT06, 4-Amino-5-fluoro-1H-pyrimidin-2-one, NCGC00016599-01, CPD000059047, SMR000059047, ST028644, 2(1H)-Pyrimidinone, 6-amino-5-fluoro-, 6-amino-5-fluoro-3-hydropyrimidin-2-one, CAS-2022-85-7, DSSTox_CID_3059, 6-amino-5-fluoro-1,2-dihydropyrimidin-2-one, 5-Fluorocytosine, 99+%, C4H4FN3O, DSSTox_RID_76856, DSSTox_GSID_23059, Flucytosone, 5-FLUORO-4-IMINO-1,2,3,4-TETRAHYDROPYRIMIDIN-2-ONE, Ancotyl, Flucytosine [USAN:INN:BAN:JAN], flucytosina, 5-fluorocytocine, Flucytosine,(S), 5 Fluoro Cytosine, 4-Amino-5-fluoro-2-hyroxypyrimidine, zlchem 343, Flucytosine [USAN), Flucytosine (5-FC), Flucytosine [USAN:USP:INN:BAN:JAN], ACMC-209zxs, Opera_ID_178, AC1L1FRT, Prestwick0_000934, Prestwick1_000934, Prestwick2_000934, Prestwick3_000934, F0321, EC 217-968-7, AC1Q52OQ, WLN: T6MVNJ DZ EF, CHEMBL1463, SCHEMBL24063, BSPBio_000868, 130256-61-0, MLS000759519, MLS001076503, MLS001424013, Flucytosine, 5-Fluorocytosine, SPBio_003037, BPBio1_000956, Flucytosine (JP17/USP/INN), DTXSID3023059, SCHEMBL14696800, 4-Amino-5-fluoro-2-pyrimidinol, CTK7B7906, CTK7E0508, CTK8A0854, QCR-271, ZLC0185, 4-amino-5-fluoro-pyrimidin-2-ol, HMS1570L10, HMS2051M04, HMS2093J05, HMS2097L10, HMS2233I14, HMS3373L05, HMS3393M04, HMS3655G17, HMS3714L10, Pharmakon1600-01505429, ZINC896546, 5-Fluorocytosine, nucleoside analog, AMX10130, BCP02877, Flucytosine 2.0 mg/ml in Methanol, HY-B0139, Tox21_110515, ANW-50846, CF-075, MFCD00179326, MFCD03547958, NSC759130, Ro-29915, s1666, SBB000061, STK292386, AKOS004912683, AKOS005063821, AKOS015896898, AKOS030241326, Tox21_110515_1, 2-Hydroxy-4-amino-5-fluoro-pyrimidine, 6-amino-5-fluoropyrimidin-2(1H)-one, AN-9456, BCP9000692, CCG-100837, CCG-213434, CS-1935, DB01099, GS-5578, KS-1060, LS40595, MCULE-7094058995, NC00087, NSC-103805, NSC-759130, KS-00000A18, Cytosine, 5-fluoro- (6CI,7CI,8CI), NCGC00016599-02, NCGC00016599-04, NCGC00016599-05, AC-11748, AJ-24237, AK-33991, BC203393, BP-30254, BR-33991, LS-59140, NCI60_000093, SAM001246753, SC-09037, SY004438, ZB015095, BCP0726000281, AB0005647, AB0071040, AB1000113, DB-005380, TL8001667, 4-AMINO-5-FLUORO-2(1H)-PYRIMIDINE, AB00513969, AM20090149, FT-0601273, SW197278-3, 5-fluoro-4-imino-1,3-dihydropyrimidin-2-one, 22P857, 4-Amino-1,2-dihydro-5-fluoro-2-oxopyrimidine, B-7734, D00323, F-3010, 16469-EP2281563A1, 16469-EP2316459A1, AB00444223-16, AB00513969-02, AB00513969_03, AB00513969_04, MFCD00006035 (97+%), 4-amino-5-fluoro-2(1H)-pyrimidinone; Flucytosine, 5-Fluorocytosine, Vetec(TM) reagent grade, 99%, SR-01000721885, Flucytosine|||6-Amino-5-fluoropyrimidin-2(1H)-one, I07-0006, SR-01000721885-5, BRD-K82143716-001-15-7, 5-Fluorocytosine, Antibiotic for Culture Media Use Only, Flucytosine, European Pharmacopoeia (EP) Reference Standard, Flucytosine, United States Pharmacopeia (USP) Reference Standard, Flucytosine, Pharmaceutical Secondary Standard; Certified Reference Material, Flucytosine for system suitability, European Pharmacopoeia (EP) Reference Standard, 1LD, Fluorocytosine, Necrostatin-1, 5-fluoro-cytosine, 5-Fluorocytosine-6-3H, D0S5WG, Flucytosine (JP15/USP/INN), 5-Fluorocytosine, 98% 250mg, CID3366, C4-H4-F-N3-O, DRG-0049, Flucytosine [USAN:BAN:INN:JAN], Ro-2-9915, 5-Fluorocytosine, 98% - 1G 1g, 6-Amino-5-fluoro-2(1H)-pyrimidinone, ACN-036605, Cytosine, 5-fluoro-(6CI,7CI,8CI), GL663142 & 5FC, 5987P, 9074P, A8433, LT00771985, 4-amino-5-fluoro-1,2-dihydropyrimidin-2-one, A10394, D005437, GL663142 & 4-Amino-5-fluoropyrimidin-2(1H)-one, 2(1H)-Pyrimidinone, 5-fluoro-3,4-dihydro-4-imino- (9CI), 4-imidazolidinone, 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-, 4311-88-0,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.034g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.094g/mol
Monoisotopic Mass	129.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number