AG00ILPC

63447-38-1 | 4,6-Dihydroxy-5-methylpyrimidine

AG00ILPC

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CAS Number	63447-38-1
Catalog Number	AG00ILPC(AGN-PC-07AAIY)
Chemical Name	4,6-Dihydroxy-5-methylpyrimidine
IUPAC Name	4-hydroxy-5-methyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChI Key	OREVOAMPEBWISR-UHFFFAOYSA-N
MDL Number	MFCD30491849
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	O=C(C1C)N=CNC1=O
Synonyms	4,6-Dihydroxy-5-methylpyrimidine, 5-methylpyrimidine-4,6-diol, 63447-38-1, 18337-63-8, 4(3H)-Pyrimidinone,6-hydroxy-5-methyl-, 5-Methyl-pyrimidine-4,6-diol, OREVOAMPEBWISR-UHFFFAOYSA-N, AC-907/30003039, Q-102311, 5-methyl-4,6-dihydroxypyrimidine, 5-Methyl-4,6-pyrimidinediol, AC1LBDWR, AC1Q6BPN, KSC490S5J, SCHEMBL2232292, 5-Methyl-4,6-pyrimidinediol #, CTK3J0954, CTK8H3537, Pyrimidine-4,6-diol, 5-methyl-, 4,6-dihydroxy-5-methyl-pyrimidine, 5-methyl-4,6-dihydroxy pyrimidine, ACT09965, KS-000010ZL, ZX-AT018626, ANW-59985, BBL100154, MFCD04037280, OR8284, SBB085633, STL511940, ZINC12654380, AKOS005254601, AKOS012923085, AC-2390, CD-1784, GS-6878, RL02340, RTC-061190, VP50358, ACM18337638, TRA-0203193, 4,6-Dihydroxy-5-methylpyrimidine, 97%, 4-hydroxy-5-methyl-1H-pyrimidin-6-one, 6-Hydroxy-5-methyl-4(1H)-pyrimidinone, AJ-63016, AJ-63017, AB0037626, AX8041396, DB-012533, DB-065442, TC-061190, 4CH-001442, FT-0617245, FT-0649611, Y4924, Y-8627, I03-0329, J-513388, I14-33843, C5H6N2O2, 4,6-Dichloro-5-methylpyrimidine, AR-1G9054, CID581007, ZINC05037804, A6982, 4(1H)-Pyrimidinone, 6-hydroxy-5-methyl- (8CI,9CI), 1032684-85-7, 4316-97-6, 63716-79-0,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number