4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

C100H127N21O5S2 — CID 158066226

IUPAC4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3
InChIKeyFLGJAGKVYMIDPD-UHFFFAOYSA-N
MW1767.39 g/mol
LogP18.91
Rot. Bonds14

About 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (PubChem CID 158066226) has the molecular formula C100H127N21O5S2 and a molecular weight of 1767.39 g/mol. Its IUPAC name is 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
PubChem CID158066226
Molecular FormulaC100H127N21O5S2
Molecular Weight1767.39 g/mol
Exact Mass1765.98
IUPAC Name4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3
InChIKeyFLGJAGKVYMIDPD-UHFFFAOYSA-N
XLogP18.91
TPSA360.39 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001767.39
LogP ≤ 518.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one with MolForge

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Related Compounds

6-[1-(5-acetylthiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;6-[3-cyano-1-(5-cyanothiophen-2-yl)-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-sulfamoylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157915690
N-[5-[[2-[(3S)-5-(4-butylphenyl)-1-ethanimidoyl-2-imino-6,7-dimethyl-3H-thieno[2,3-e][1,4]diazepin-3-yl]acetyl]amino]pentyl]-2-[2-(3-methylimidazol-4-yl)quinolin-4-yl]-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;ethane;molecular hydrogen
CID 142535888
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 157134596
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-phenylquinoxaline-6-carboxamide;2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;(2-methyl-3-phenylquinoxalin-6-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone;(2-methyl-3-phenylquinoxalin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-(2-pyridin-3-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide;N-(2-pyridin-4-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 157502011
8-(1-benzothiophen-3-yl)-N-(1H-imidazol-2-yl)quinoxaline-5-carboxamide;8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 157571976
3-[[2-[(4-Acetylpiperazin-1-yl)methyl]-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;1-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one;1-[4-[[8-(3,5-dimethylanilino)-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl]piperazin-1-yl]ethanone
CID 158494698
8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methyl-6-oxo-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158565499
benzenesulfinate;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;2-tert-butylpyrido[1,2-a]pyrimidin-5-ium-3-amine;2-[(2-tert-butylpyrido[1,2-a]pyrimidin-5-ium-3-yl)amino]-N-methylbenzamide;1-(2-tert-butylpyrido[1,2-a]pyrimidin-5-ium-3-yl)butan-2-one;(4-tert-butylquinolin-7-yl)methanamine
CID 158728520
1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
CID 159096340
2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide
CID 159112654
1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159593535
N-[3-[[2-(dimethylamino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]acetamide;3-[[2-(dimethylamino)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide;8-N-(3,5-dimethylphenyl)-2-N,2-N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2,8-diamine;N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 159674651

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The IUPAC name of 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (CID 158066226) is 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.
What is the SMILES notation for 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The canonical SMILES for 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The InChIKey is FLGJAGKVYMIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one has a molecular weight of 1767.39 g/mol, XLogP of 18.91, 14 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is sourced from PubChem (CID 158066226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).