1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one

C180H263F2N37O20S — CID 158461291

IUPAC1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=NC(N)=NC1.CC(C)(C)C(=O)Cc1ccccn1.CC(C)(C)C(=O)c1cccnn1.CC(C)(C)C(=O)c1ccncn1.CC(C)(C)C(=O)c1cncnc1.CC(C)(C)C(=O)c1cnnn1-c1ccccc1.CC(C)(C)C(=O)c1nc[nH]c1F.CC(C)(C)C(=O)c1ncccc1F.CC(C)c1nc(C(=O)C(C)(C)C)cs1.CC(C)c1nccc(C(=O)C(C)(C)C)n1.CC(C)n1cc(C(=O)C(C)(C)C)cn1.CCOC(=O)Cn1cc(C(=O)C(C)(C)C)nn1.Cc1cc(C(=O)C(C)(C)C)nc(N)n1.Cc1nn(C)c(C)c1C(=O)C(C)(C)C.Cc1nn(C)cc1C(=O)C(C)(C)C.Cn1ccnc1C(=O)C(C)(C)C.Cn1cnc(C(=O)C(C)(C)C)c1.Cn1cncc1C(=O)C(C)(C)C
InChIInChI=1S/C13H15N3O.C12H18N2O.C11H17N3O3.2C11H18N2O.C11H17NOS.C11H15NO.C10H12FNO.C10H15N3O.C10H16N2O.2C9H14N2O.C9H12N2O.C9H14N2O.2C9H12N2O.C8H11FN2O.C8H13N3O/c1-13(2,3)12(17)11-9-14-15-16(11)10-7-5-4-6-8-10;1-8(2)11-13-7-6-9(14-11)10(15)12(3,4)5;1-5-17-9(15)7-14-6-8(12-13-14)10(16)11(2,3)4;1-8(2)13-7-9(6-12-13)10(14)11(3,4)5;1-7-9(8(2)13(6)12-7)10(14)11(3,4)5;1-7(2)10-12-8(6-14-10)9(13)11(3,4)5;1-11(2,3)10(13)8-9-6-4-5-7-12-9;1-10(2,3)9(13)8-7(11)5-4-6-12-8;1-6-5-7(13-9(11)12-6)8(14)10(2,3)4;1-7-8(6-12(5)11-7)9(13)10(2,3)4;1-9(2,3)8(12)7-5-11(4)6-10-7;1-9(2,3)8(12)7-5-10-6-11(7)4;1-9(2,3)8(12)7-4-10-6-11-5-7;1-9(2,3)7(12)8-10-5-6-11(8)4;1-9(2,3)8(12)7-4-5-10-6-11-7;1-9(2,3)8(12)7-5-4-6-10-11-7;1-8(2,3)6(12)5-7(9)11-4-10-5;1-8(2,3)6(12)5-4-10-7(9)11-5/h4-9H,1-3H3;6-8H,1-5H3;6H,5,7H2,1-4H3;6-8H,1-5H3;1-6H3;6-7H,1-5H3;4-7H,8H2,1-3H3;4-6H,1-3H3;5H,1-4H3,(H2,11,12,13);6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4H,1-3H3,(H,10,11);4H2,1-3H3,(H2,9,10)
InChIKeyHFEYIYUOINGLOP-UHFFFAOYSA-N
MW3335.39 g/mol
LogP35.30
Rot. Bonds26

About 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one

1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one (PubChem CID 158461291) has the molecular formula C180H263F2N37O20S and a molecular weight of 3335.39 g/mol. Its IUPAC name is 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one
PubChem CID158461291
Molecular FormulaC180H263F2N37O20S
Molecular Weight3335.39 g/mol
Exact Mass3333.04
IUPAC Name1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=NC(N)=NC1.CC(C)(C)C(=O)Cc1ccccn1.CC(C)(C)C(=O)c1cccnn1.CC(C)(C)C(=O)c1ccncn1.CC(C)(C)C(=O)c1cncnc1.CC(C)(C)C(=O)c1cnnn1-c1ccccc1.CC(C)(C)C(=O)c1nc[nH]c1F.CC(C)(C)C(=O)c1ncccc1F.CC(C)c1nc(C(=O)C(C)(C)C)cs1.CC(C)c1nccc(C(=O)C(C)(C)C)n1.CC(C)n1cc(C(=O)C(C)(C)C)cn1.CCOC(=O)Cn1cc(C(=O)C(C)(C)C)nn1.Cc1cc(C(=O)C(C)(C)C)nc(N)n1.Cc1nn(C)c(C)c1C(=O)C(C)(C)C.Cc1nn(C)cc1C(=O)C(C)(C)C.Cn1ccnc1C(=O)C(C)(C)C.Cn1cnc(C(=O)C(C)(C)C)c1.Cn1cncc1C(=O)C(C)(C)C
InChIInChI=1S/C13H15N3O.C12H18N2O.C11H17N3O3.2C11H18N2O.C11H17NOS.C11H15NO.C10H12FNO.C10H15N3O.C10H16N2O.2C9H14N2O.C9H12N2O.C9H14N2O.2C9H12N2O.C8H11FN2O.C8H13N3O/c1-13(2,3)12(17)11-9-14-15-16(11)10-7-5-4-6-8-10;1-8(2)11-13-7-6-9(14-11)10(15)12(3,4)5;1-5-17-9(15)7-14-6-8(12-13-14)10(16)11(2,3)4;1-8(2)13-7-9(6-12-13)10(14)11(3,4)5;1-7-9(8(2)13(6)12-7)10(14)11(3,4)5;1-7(2)10-12-8(6-14-10)9(13)11(3,4)5;1-11(2,3)10(13)8-9-6-4-5-7-12-9;1-10(2,3)9(13)8-7(11)5-4-6-12-8;1-6-5-7(13-9(11)12-6)8(14)10(2,3)4;1-7-8(6-12(5)11-7)9(13)10(2,3)4;1-9(2,3)8(12)7-5-11(4)6-10-7;1-9(2,3)8(12)7-5-10-6-11(7)4;1-9(2,3)8(12)7-4-10-6-11-5-7;1-9(2,3)7(12)8-10-5-6-11(8)4;1-9(2,3)8(12)7-4-5-10-6-11-7;1-9(2,3)8(12)7-5-4-6-10-11-7;1-8(2,3)6(12)5-7(9)11-4-10-5;1-8(2,3)6(12)5-4-10-7(9)11-5/h4-9H,1-3H3;6-8H,1-5H3;6H,5,7H2,1-4H3;6-8H,1-5H3;1-6H3;6-7H,1-5H3;4-7H,8H2,1-3H3;4-6H,1-3H3;5H,1-4H3,(H2,11,12,13);6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4H,1-3H3,(H,10,11);4H2,1-3H3,(H2,9,10)
InChIKeyHFEYIYUOINGLOP-UHFFFAOYSA-N
XLogP35.30
TPSA774.91 Ų
H-Bond Donors3
H-Bond Acceptors57
Rotatable Bonds26
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003335.39
LogP ≤ 535.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1057

Analyze 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one (CID 158461291) is 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1=NC(N)=NC1.CC(C)(C)C(=O)Cc1ccccn1.CC(C)(C)C(=O)c1cccnn1.CC(C)(C)C(=O)c1ccncn1.CC(C)(C)C(=O)c1cncnc1.CC(C)(C)C(=O)c1cnnn1-c1ccccc1.CC(C)(C)C(=O)c1nc[nH]c1F.CC(C)(C)C(=O)c1ncccc1F.CC(C)c1nc(C(=O)C(C)(C)C)cs1.CC(C)c1nccc(C(=O)C(C)(C)C)n1.CC(C)n1cc(C(=O)C(C)(C)C)cn1.CCOC(=O)Cn1cc(C(=O)C(C)(C)C)nn1.Cc1cc(C(=O)C(C)(C)C)nc(N)n1.Cc1nn(C)c(C)c1C(=O)C(C)(C)C.Cc1nn(C)cc1C(=O)C(C)(C)C.Cn1ccnc1C(=O)C(C)(C)C.Cn1cnc(C(=O)C(C)(C)C)c1.Cn1cncc1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one?
The InChIKey is HFEYIYUOINGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C12H18N2O.C11H17N3O3.2C11H18N2O.C11H17NOS.C11H15NO.C10H12FNO.C10H15N3O.C10H16N2O.2C9H14N2O.C9H12N2O.C9H14N2O.2C9H12N2O.C8H11FN2O.C8H13N3O/c1-13(2,3)12(17)11-9-14-15-16(11)10-7-5-4-6-8-10;1-8(2)11-13-7-6-9(14-11)10(15)12(3,4)5;1-5-17-9(15)7-14-6-8(12-13-14)10(16)11(2,3)4;1-8(2)13-7-9(6-12-13)10(14)11(3,4)5;1-7-9(8(2)13(6)12-7)10(14)11(3,4)5;1-7(2)10-12-8(6-14-10)9(13)11(3,4)5;1-11(2,3)10(13)8-9-6-4-5-7-12-9;1-10(2,3)9(13)8-7(11)5-4-6-12-8;1-6-5-7(13-9(11)12-6)8(14)10(2,3)4;1-7-8(6-12(5)11-7)9(13)10(2,3)4;1-9(2,3)8(12)7-5-11(4)6-10-7;1-9(2,3)8(12)7-5-10-6-11(7)4;1-9(2,3)8(12)7-4-10-6-11-5-7;1-9(2,3)7(12)8-10-5-6-11(8)4;1-9(2,3)8(12)7-4-5-10-6-11-7;1-9(2,3)8(12)7-5-4-6-10-11-7;1-8(2,3)6(12)5-7(9)11-4-10-5;1-8(2,3)6(12)5-4-10-7(9)11-5/h4-9H,1-3H3;6-8H,1-5H3;6H,5,7H2,1-4H3;6-8H,1-5H3;1-6H3;6-7H,1-5H3;4-7H,8H2,1-3H3;4-6H,1-3H3;5H,1-4H3,(H2,11,12,13);6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4H,1-3H3,(H,10,11);4H2,1-3H3,(H2,9,10).
What are the key properties of 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one?
1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one has a molecular weight of 3335.39 g/mol, XLogP of 35.30, 26 rotatable bonds, 3 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-(2-amino-6-methylpyrimidin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one;2,2-dimethyl-1-(1-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-one;2,2-dimethyl-1-(3-phenyltriazol-4-yl)propan-1-one;2,2-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2,2-dimethyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-pyridazin-3-ylpropan-1-one;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;2,2-dimethyl-1-pyrimidin-4-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one;2,2-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one;ethyl 2-[4-(2,2-dimethylpropanoyl)triazol-1-yl]acetate;1-(5-fluoro-1H-imidazol-4-yl)-2,2-dimethylpropan-1-one;1-(3-fluoro-2-pyridinyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158461291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).