7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one

C182H238ClN65O20 — CID 158018253

IUPAC7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one
SMILESCC(=O)Nc1nc2ncn(C(C)(C)C)c(=O)c2n1C.CC(C)(C)n1cnc2nc(N)ccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(C#N)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(Cl)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnnc2ncn(C(C)(C)C)c(=O)c12.Cc1nc(C)n2ncn(C(C)(C)C)c(=O)c12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(ncn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1c(NC2COC2)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)cn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c2c1=O.Cn1cnc2nnn(C(C)(C)C)c(=O)c21.Cn1ncc2cnn(C(C)(C)C)c(=O)c21.[C-]#[N+]c1cn(C)c2c(=O)n(C(C)(C)C)ncc12
InChIInChI=1S/C13H19N5O2.C13H14N4O.C12H14ClN3O.C12H17N5O2.2C12H14N4O.C12H16N4O.C12H15N3O2.C11H16N4O2.C11H14N4O.C11H16N4O.2C11H14N4O.2C10H14N4O.C9H13N5O/c1-13(2,3)18-7-14-10-9(11(18)19)17(4)12(16-10)15-8-5-20-6-8;1-8-6-15-9(5-14)11-10(8)12(18)17(7-16-11)13(2,3)4;1-7-5-14-10(13)9-8(7)11(17)16(6-15-9)12(2,3)4;1-7(18)14-11-15-9-8(16(11)5)10(19)17(6-13-9)12(2,3)4;1-12(2,3)16-11(17)10-8(6-14-16)9(13-4)7-15(10)5;1-12(2,3)16-6-8(5-13)9-10(16)11(17)15(4)7-14-9;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-11(2,3)15-6-12-8-7(15)9(16)14(5)10(17)13(8)4;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-9-10(16)14(11(3,4)5)6-12-15(9)8(2)13-7;1-7-5-13-14-9-8(7)10(16)15(6-12-9)11(2,3)4;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-10(2,3)14-6-12-8-7(14)9(15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(6-12-14)5-11-13(8)4;1-9(2,3)14-8(15)6-7(11-12-14)10-5-13(6)4/h7-8H,5-6H2,1-4H3,(H,15,16);6-7H,1-4H3;5-6H,1-4H3;6H,1-5H3,(H,14,15,18);6-7H,1-3,5H3;6-7H,1-4H3;5-6H,1-4H3,(H2,13,15);5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3;5-6H,1-4H3;4-6H,1-3H3,(H2,12,14);2*5-6H,1-4H3;5H,1-4H3
InChIKeyFFSYWCASPBNQHR-UHFFFAOYSA-N
MW3691.79 g/mol
LogP18.59
Rot. Bonds3

About 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one

7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one (PubChem CID 158018253) has the molecular formula C182H238ClN65O20 and a molecular weight of 3691.79 g/mol. Its IUPAC name is 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one
PubChem CID158018253
Molecular FormulaC182H238ClN65O20
Molecular Weight3691.79 g/mol
Exact Mass3688.93
IUPAC Name7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one
SMILESCC(=O)Nc1nc2ncn(C(C)(C)C)c(=O)c2n1C.CC(C)(C)n1cnc2nc(N)ccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(C#N)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(Cl)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnnc2ncn(C(C)(C)C)c(=O)c12.Cc1nc(C)n2ncn(C(C)(C)C)c(=O)c12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(ncn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1c(NC2COC2)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)cn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c2c1=O.Cn1cnc2nnn(C(C)(C)C)c(=O)c21.Cn1ncc2cnn(C(C)(C)C)c(=O)c21.[C-]#[N+]c1cn(C)c2c(=O)n(C(C)(C)C)ncc12
InChIInChI=1S/C13H19N5O2.C13H14N4O.C12H14ClN3O.C12H17N5O2.2C12H14N4O.C12H16N4O.C12H15N3O2.C11H16N4O2.C11H14N4O.C11H16N4O.2C11H14N4O.2C10H14N4O.C9H13N5O/c1-13(2,3)18-7-14-10-9(11(18)19)17(4)12(16-10)15-8-5-20-6-8;1-8-6-15-9(5-14)11-10(8)12(18)17(7-16-11)13(2,3)4;1-7-5-14-10(13)9-8(7)11(17)16(6-15-9)12(2,3)4;1-7(18)14-11-15-9-8(16(11)5)10(19)17(6-13-9)12(2,3)4;1-12(2,3)16-11(17)10-8(6-14-16)9(13-4)7-15(10)5;1-12(2,3)16-6-8(5-13)9-10(16)11(17)15(4)7-14-9;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-11(2,3)15-6-12-8-7(15)9(16)14(5)10(17)13(8)4;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-9-10(16)14(11(3,4)5)6-12-15(9)8(2)13-7;1-7-5-13-14-9-8(7)10(16)15(6-12-9)11(2,3)4;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-10(2,3)14-6-12-8-7(14)9(15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(6-12-14)5-11-13(8)4;1-9(2,3)14-8(15)6-7(11-12-14)10-5-13(6)4/h7-8H,5-6H2,1-4H3,(H,15,16);6-7H,1-4H3;5-6H,1-4H3;6H,1-5H3,(H,14,15,18);6-7H,1-3,5H3;6-7H,1-4H3;5-6H,1-4H3,(H2,13,15);5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3;5-6H,1-4H3;4-6H,1-3H3,(H2,12,14);2*5-6H,1-4H3;5H,1-4H3
InChIKeyFFSYWCASPBNQHR-UHFFFAOYSA-N
XLogP18.59
TPSA993.78 Ų
H-Bond Donors4
H-Bond Acceptors83
Rotatable Bonds3
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003691.79
LogP ≤ 518.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1083

Analyze 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-amino-1-tert-butyl-2,7-dimethylpurin-6-one;8-amino-7-tert-butyl-1-methylpurin-6-one;2-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;2-amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-8-chloro-2,7-dimethylpurin-6-one;1-tert-butyl-2-chloro-7-methylpurin-6-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;6-tert-butyl-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-3-methyltriazolo[4,5-d]pyridazin-4-one;3-tert-butyl-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile;1-tert-butyl-2,7,8-trimethylpurin-6-one
CID 161413841
(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 162281856
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 123975768
3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-7-chloropyrido[2,3-d]pyrimidin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-deuterio-7-methyl-1H-purin-6-one;8-deuterio-7-methyl-1H-purin-6-one;pentakis(2-methylpropane);7-methyl-1H-purin-6-one;5-methyl-3H-pyrazolo[5,1-f][1,2,4]triazin-4-one;2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 157112856
7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 157119704
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157184370
CID 157343737
CID 157343737
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157372982
CID 157607241
CID 157607241
1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;7-propan-2-ylimidazo[4,5-c]pyridazine;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;7-propan-2-ylpyrrolo[1,2-b]pyridazine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(3-propan-2-yltriazolo[4,5-b]pyridine);3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157617458
azetidin-1-yl-(3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-b]pyridazin-2-yl)methanone;3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide;3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 157752470
7-amino-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;7-amino-3H-pyrido[2,3-d]pyrimidin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;N,N-dimethyl-2-[(7-methyl-6-oxo-1H-purin-8-yl)amino]acetamide;7-methyl-8-(oxan-4-ylamino)-1H-purin-6-one;7-methyl-8-(oxetan-3-ylamino)-1H-purin-6-one;N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide;nonakis(2-methylpropane);1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3H-pyrido[3,2-d]pyrimidine-4,6-dione;6H-pyrido[2,3-d]pyridazin-5-one
CID 157769660

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one (CID 158018253) is 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one is CC(=O)Nc1nc2ncn(C(C)(C)C)c(=O)c2n1C.CC(C)(C)n1cnc2nc(N)ccc2c1=O.Cc1cc(N)nc2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(C#N)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnc(Cl)c2ncn(C(C)(C)C)c(=O)c12.Cc1cnnc2ncn(C(C)(C)C)c(=O)c12.Cc1nc(C)n2ncn(C(C)(C)C)c(=O)c12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)c2c(ncn2C(C)(C)C)n(C)c1=O.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1c(NC2COC2)nc2ncn(C(C)(C)C)c(=O)c21.Cn1cnc2c(C#N)cn(C(C)(C)C)c2c1=O.Cn1cnc2ncn(C(C)(C)C)c2c1=O.Cn1cnc2nnn(C(C)(C)C)c(=O)c21.Cn1ncc2cnn(C(C)(C)C)c(=O)c21.[C-]#[N+]c1cn(C)c2c(=O)n(C(C)(C)C)ncc12.
What is the InChIKey of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is FFSYWCASPBNQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.C13H14N4O.C12H14ClN3O.C12H17N5O2.2C12H14N4O.C12H16N4O.C12H15N3O2.C11H16N4O2.C11H14N4O.C11H16N4O.2C11H14N4O.2C10H14N4O.C9H13N5O/c1-13(2,3)18-7-14-10-9(11(18)19)17(4)12(16-10)15-8-5-20-6-8;1-8-6-15-9(5-14)11-10(8)12(18)17(7-16-11)13(2,3)4;1-7-5-14-10(13)9-8(7)11(17)16(6-15-9)12(2,3)4;1-7(18)14-11-15-9-8(16(11)5)10(19)17(6-13-9)12(2,3)4;1-12(2,3)16-11(17)10-8(6-14-16)9(13-4)7-15(10)5;1-12(2,3)16-6-8(5-13)9-10(16)11(17)15(4)7-14-9;1-7-5-8(13)15-10-9(7)11(17)16(6-14-10)12(2,3)4;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-11(2,3)15-6-12-8-7(15)9(16)14(5)10(17)13(8)4;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-9-10(16)14(11(3,4)5)6-12-15(9)8(2)13-7;1-7-5-13-14-9-8(7)10(16)15(6-12-9)11(2,3)4;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-10(2,3)14-6-12-8-7(14)9(15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(6-12-14)5-11-13(8)4;1-9(2,3)14-8(15)6-7(11-12-14)10-5-13(6)4/h7-8H,5-6H2,1-4H3,(H,15,16);6-7H,1-4H3;5-6H,1-4H3;6H,1-5H3,(H,14,15,18);6-7H,1-3,5H3;6-7H,1-4H3;5-6H,1-4H3,(H2,13,15);5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3;6H,1-5H3;5-6H,1-4H3;4-6H,1-3H3,(H2,12,14);2*5-6H,1-4H3;5H,1-4H3.
What are the key properties of 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one?
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 3691.79 g/mol, XLogP of 18.59, 3 rotatable bonds, 4 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 158018253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).