AG003NAJ

103980-68-3 | 6-Methyl-5-propylpyrimidin-4(1H)-one

AG003NAJ

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CAS Number	103980-68-3
Catalog Number	AG003NAJ(AGN-PC-0KO1IV)
Chemical Name	6-Methyl-5-propylpyrimidin-4(1H)-one
IUPAC Name	4-methyl-5-propyl-1H-pyrimidin-6-one
InChI	InChI=1S/C8H12N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChI Key	UAJIFHDSCLQUON-UHFFFAOYSA-N
MDL Number	MFCD01689111
Molecular Formula	C8H12N2O
Molecular Weight	152.1937
SMILES	CCCc1c(C)ncnc1O
Synonyms	103980-68-3, 6-Methyl-5-propyl-4(1H)-pyrimidinone, 6-Methyl-5-propyl-4(3H)-pyrimidinone, 6-Methyl-5-propylpyrimidin-4(1H)-one, 6-Methyl-5-propyl-4-pyrimidinol, 4-Pyrimidinol, 6-methyl-5-propyl-, BRN 0127697, 6-methyl-5-propyl-1H-pyrimidin-4-one, AC1MHFM7, 4-24-00-00219 (Beilstein Handbook Reference), ACMC-2098a7, SCHEMBL4762363, CTK4A2560, CTK8E5437, DTXSID00146199, UAJIFHDSCLQUON-UHFFFAOYSA-N, 5-propyl-6-methyl-pyrimidin4-one, 5-propyl-6-methyl-pyrimidin-4-one, ANW-15005, MFCD01689111, ZINC16855731, KS-000014N6, 6-METHYL-5-PROPYLPYRIMIDIN-4-OL, 4(3H)-Pyrimidinone,6-methyl-5-propyl-, DB-040501, LS-135806, RT-021096, FT-0642550, M1635, 6-methyl-5-propyl-3,4-dihydropyrimidin-4-one, 6-Methyl-5-propyl-4(3H)-pyrimidinone, 97%, A800869, J-001082, I14-107538, C8-H12-N2-O, CID3025555,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.197g/mol
Monoisotopic Mass	152.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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