AG003GGH

56741-95-8 | 2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine

AG003GGH

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CAS Number	56741-95-8
Catalog Number	AG003GGH(AGN-PC-0JL6OW)
Chemical Name	2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine
IUPAC Name	2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one
InChI	InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChI Key	CIUUIPMOFZIWIZ-UHFFFAOYSA-N
MDL Number	MFCD00813905
Molecular Formula	C10H8BrN3O
Molecular Weight	266.0940
NSC Number	149027
SMILES	C1=CC=CC=C1C2=C(C(N=C(N2)N)=O)Br
UNII	J57CTF25XJ
Synonyms	2-amino-5-bromophenyl-4-pyrimidinone, 2-APPD, bropirimine, Bropirimine, 56741-95-8, 2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine, ABPP, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Bropiriminum [Latin], 2-Amino-5-bromo-6-phenyl-4(3H)-pyrimidinone, 2-amino-5-bromo-6-phenylpyrimidin-4(3H)-one, U-54461, Bropirimina [Spanish], C10H8BrN3O, UNII-J57CTF25XJ, CCRIS 3730, 2-amino-5-bromo-6-phenyl-1H-pyrimidin-4-one, 2-Amino-5-bromo-6-phenyl-4(1H)-pyrimidinone, 4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, BRN 0651807, 5-Bromo-6-phenylisocytosine, J57CTF25XJ, CHEBI:31307, 2-amino-5-bromo-6-phenyl-3H-pyrimidin-4-one, NCGC00181015-01, 2-Amino-5-bromo-6-phenyl-4-pyrimidinol, AK-29410, DSSTox_CID_26803, DSSTox_RID_81917, 4(3H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, DSSTox_GSID_46803, Bropirimina, Bropiriminum, Remisar, CAS-56741-95-8, 2-APPD, Bropirimine [USAN:BAN:INN], Bropirimine [USAN:INN:BAN], 1rsi, 2-amino-5-bromophenyl-4-pyrimidinone, AC1L23AD, Cambridge id 5344828, SCHEMBL4058, 5-25-15-00166 (Beilstein Handbook Reference), CHEMBL37387, Bropirimine (JAN/USAN/INN), DTXSID5046803, Bropirimine, >=98% (HPLC), CTK1H1389, CIUUIPMOFZIWIZ-UHFFFAOYSA-N, HMS1582P07, KS-00000G3L, Tox21_112665, ANW-51865, BDBM50449125, MFCD00813905, NSC149027, PNU 54461, PNU-54461, ZINC16051409, AKOS005207829, AKOS015892322, AKOS024458088, Tox21_112665_1, CCG-222555, CS-W009350, DB04168, DS-0692, MCULE-1325908642, NSC 149027, NSC-149027, TRA0037844, VP50095, NCGC00273564-01, AJ-68077, AN-40124, BAS 00485797, BR-29410, HC210104, SC-14136, U 54461S, 2-Amino-5-bromo-6-phenyl-4-pyrimidinone, 2-Amino-5-bromo-6-phenyl-pyrimidin-4-ol, 4-Pyrimidinol, 2-amino-5-bromo-6-phenyl-, AB0025555, AX8012658, DB-005946, LS-135830, ST2409524, TC-030529, 4CH-007225, B7646, FT-0080390, FT-0602773, W7039, 2-Amino-5-bromo-6-phenyl-4(3H)-pyrimidone, 2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one, C13127, D01666, L-3261, S-4238, AB00081669-01, 2-azanyl-5-bromanyl-6-phenyl-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone,3-dihydro-2-imino-6-phenyl-, 741A958, A831159, U 54461, U-54,461, 2-amino-5-bromo-6-phenyl-3,4-dihydropyrimidin-4-one, F2158-0617, 5-Bromo-2,3-dihydro-2-imino-6-phenyl-4(1H)-pyrimidinone, Abmfpp, D03UJA, D07RPR, Brc1c(O)nc(N)nc1c2ccccc2, C10-H8-Br-N3-O, CID65457, C033560, U-56499, N/A,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.985g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	266.098g/mol
Monoisotopic Mass	264.985g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.5A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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