4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one

C178H267F12N27O20 — CID 158477272

IUPAC4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cn(C)c(=O)n(C)c1=O.CCc1nc(C(C)C)c(=O)n(C)c1CC.COc1cc(C)n(C)c(=O)c1C(C)C.COc1cnn(C)c(=O)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c(=O)n1C.Cc1c(C(F)(F)F)cn(C)c(=O)c1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1C.Cc1cc(C(F)(F)F)c(C(C)C)nc1C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(N2CCC2)c(C(C)C)c(=O)n1C.Cc1cn(C)c(=O)c(C(C)C)n1.Cc1nc(C(C)(C)C)c(=O)n(C)c1C.Cc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C.Cc1nc(C)n(C)c(=O)c1C(C)C.Cc1ncc(C(C)C)c(=O)n1C
InChIInChI=1S/C13H20N2O.C12H20N2O.C11H14F3NO.C11H14F3N.C11H18N2O.C11H17NO2.3C11H17NO.C10H13F3N2O.C10H12F3NO.C10H16N2O2.C10H16N2O.2C9H14N2O2.2C9H14N2O/c1-9(2)12-11(15-6-5-7-15)8-10(3)14(4)13(12)16;1-6-9-10(7-2)14(5)12(15)11(13-9)8(3)4;1-6(2)9-7(3)8(11(12,13)14)5-15(4)10(9)16;1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10;1-7-8(2)13(6)10(14)9(12-7)11(3,4)5;1-7(2)10-9(14-5)6-8(3)12(4)11(10)13;1-7(2)10-6-8(3)9(4)12(5)11(10)13;2*1-7(2)10-8(3)6-9(4)12(5)11(10)13;1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;1-6(2)8-7(3)11(4)10(14)12(5)9(8)13;1-6(2)9-7(3)11-8(4)12(5)10(9)13;1-6(2)8-7(13-4)5-10-11(3)9(8)12;1-6(2)7-5-10(3)9(13)11(4)8(7)12;1-6(2)8-5-10-7(3)11(4)9(8)12;1-6(2)8-9(12)11(4)5-7(3)10-8/h8-9H,5-7H2,1-4H3;8H,6-7H2,1-5H3;5-6H,1-4H3;5-6H,1-4H3;1-6H3;6-7H,1-5H3;3*6-7H,1-5H3;5H,1-4H3;4-6H,1-3H3;6H,1-5H3;6H,1-5H3;2*5-6H,1-4H3;2*5-6H,1-4H3
InChIKeyHHBZEXMLFDMJSC-UHFFFAOYSA-N
MW3333.24 g/mol
LogP30.97
Rot. Bonds21

About 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one

4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 158477272) has the molecular formula C178H267F12N27O20 and a molecular weight of 3333.24 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one
PubChem CID158477272
Molecular FormulaC178H267F12N27O20
Molecular Weight3333.24 g/mol
Exact Mass3331.05
IUPAC Name4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cn(C)c(=O)n(C)c1=O.CCc1nc(C(C)C)c(=O)n(C)c1CC.COc1cc(C)n(C)c(=O)c1C(C)C.COc1cnn(C)c(=O)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c(=O)n1C.Cc1c(C(F)(F)F)cn(C)c(=O)c1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1C.Cc1cc(C(F)(F)F)c(C(C)C)nc1C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(N2CCC2)c(C(C)C)c(=O)n1C.Cc1cn(C)c(=O)c(C(C)C)n1.Cc1nc(C(C)(C)C)c(=O)n(C)c1C.Cc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C.Cc1nc(C)n(C)c(=O)c1C(C)C.Cc1ncc(C(C)C)c(=O)n1C
InChIInChI=1S/C13H20N2O.C12H20N2O.C11H14F3NO.C11H14F3N.C11H18N2O.C11H17NO2.3C11H17NO.C10H13F3N2O.C10H12F3NO.C10H16N2O2.C10H16N2O.2C9H14N2O2.2C9H14N2O/c1-9(2)12-11(15-6-5-7-15)8-10(3)14(4)13(12)16;1-6-9-10(7-2)14(5)12(15)11(13-9)8(3)4;1-6(2)9-7(3)8(11(12,13)14)5-15(4)10(9)16;1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10;1-7-8(2)13(6)10(14)9(12-7)11(3,4)5;1-7(2)10-9(14-5)6-8(3)12(4)11(10)13;1-7(2)10-6-8(3)9(4)12(5)11(10)13;2*1-7(2)10-8(3)6-9(4)12(5)11(10)13;1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;1-6(2)8-7(3)11(4)10(14)12(5)9(8)13;1-6(2)9-7(3)11-8(4)12(5)10(9)13;1-6(2)8-7(13-4)5-10-11(3)9(8)12;1-6(2)7-5-10(3)9(13)11(4)8(7)12;1-6(2)8-5-10-7(3)11(4)9(8)12;1-6(2)8-9(12)11(4)5-7(3)10-8/h8-9H,5-7H2,1-4H3;8H,6-7H2,1-5H3;5-6H,1-4H3;5-6H,1-4H3;1-6H3;6-7H,1-5H3;3*6-7H,1-5H3;5H,1-4H3;4-6H,1-3H3;6H,1-5H3;6H,1-5H3;2*5-6H,1-4H3;2*5-6H,1-4H3
InChIKeyHHBZEXMLFDMJSC-UHFFFAOYSA-N
XLogP30.97
TPSA520.82 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds21
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003333.24
LogP ≤ 530.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one (CID 158477272) is 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cn(C)c(=O)n(C)c1=O.CCc1nc(C(C)C)c(=O)n(C)c1CC.COc1cc(C)n(C)c(=O)c1C(C)C.COc1cnn(C)c(=O)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c(=O)n1C.Cc1c(C(F)(F)F)cn(C)c(=O)c1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1C.Cc1cc(C(F)(F)F)c(C(C)C)nc1C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(C)n(C)c(=O)c1C(C)C.Cc1cc(N2CCC2)c(C(C)C)c(=O)n1C.Cc1cn(C)c(=O)c(C(C)C)n1.Cc1nc(C(C)(C)C)c(=O)n(C)c1C.Cc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C.Cc1nc(C)n(C)c(=O)c1C(C)C.Cc1ncc(C(C)C)c(=O)n1C.
What is the InChIKey of 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is HHBZEXMLFDMJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H20N2O.C11H14F3NO.C11H14F3N.C11H18N2O.C11H17NO2.3C11H17NO.C10H13F3N2O.C10H12F3NO.C10H16N2O2.C10H16N2O.2C9H14N2O2.2C9H14N2O/c1-9(2)12-11(15-6-5-7-15)8-10(3)14(4)13(12)16;1-6-9-10(7-2)14(5)12(15)11(13-9)8(3)4;1-6(2)9-7(3)8(11(12,13)14)5-15(4)10(9)16;1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10;1-7-8(2)13(6)10(14)9(12-7)11(3,4)5;1-7(2)10-9(14-5)6-8(3)12(4)11(10)13;1-7(2)10-6-8(3)9(4)12(5)11(10)13;2*1-7(2)10-8(3)6-9(4)12(5)11(10)13;1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;1-6(2)8-7(3)11(4)10(14)12(5)9(8)13;1-6(2)9-7(3)11-8(4)12(5)10(9)13;1-6(2)8-7(13-4)5-10-11(3)9(8)12;1-6(2)7-5-10(3)9(13)11(4)8(7)12;1-6(2)8-5-10-7(3)11(4)9(8)12;1-6(2)8-9(12)11(4)5-7(3)10-8/h8-9H,5-7H2,1-4H3;8H,6-7H2,1-5H3;5-6H,1-4H3;5-6H,1-4H3;1-6H3;6-7H,1-5H3;3*6-7H,1-5H3;5H,1-4H3;4-6H,1-3H3;6H,1-5H3;6H,1-5H3;2*5-6H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one?
4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 3333.24 g/mol, XLogP of 30.97, 21 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one;3-tert-butyl-1,5,6-trimethylpyrazin-2-one;5,6-diethyl-1-methyl-3-propan-2-ylpyrazin-2-one;1,5-dimethyl-3-propan-2-ylpyrazin-2-one;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-5-propan-2-ylpyrimidin-4-one;2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine;1,4-dimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;5-methoxy-2-methyl-4-propan-2-ylpyridazin-3-one;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;bis(1,4,6-trimethyl-3-propan-2-ylpyridin-2-one);1,5,6-trimethyl-3-propan-2-ylpyridin-2-one;1,3,6-trimethyl-5-propan-2-ylpyrimidine-2,4-dione;2,3,6-trimethyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 158477272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).