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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

C116H151N26O6S2- — CID 162073709

IUPACbenzenesulfinate;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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2[nH]ccc12.CC(C)(C)c1nc2ccccc2nc1N.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.O=S([O-])c1ccccc1
InChIInChI=1S/C20H22N4O.C16H26N6.C16H23N5O.C16H22N4OS.C16H20N2O.C14H18N2.C12H15N3.C6H6O2S/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;1-10(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)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;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;1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10;7-9(8)6-4-2-1-3-5-6/h5-12H,1-4H3,(H,21,25)(H,23,24);9-11H,6-8,17H2,1-5H3;6,9-10,17H,4-5,7-8H2,1-3H3,(H2,18,19,20,21,22);7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3;4-7H,1-3H3,(H2,13,15);1-5H,(H,7,8)/p-1
InChIKeyCBIIMVMQRFIXIT-UHFFFAOYSA-M
MW2069.79 g/mol
LogP20.81
Rot. Bonds14

About 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (PubChem CID 162073709) has the molecular formula C116H151N26O6S2- and a molecular weight of 2069.79 g/mol. Its IUPAC name is 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.

Molecular Properties

Compound Namebenzenesulfinate;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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
PubChem CID162073709
Molecular FormulaC116H151N26O6S2-
Molecular Weight2069.79 g/mol
Exact Mass2068.18
IUPAC Namebenzenesulfinate;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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2[nH]ccc12.CC(C)(C)c1nc2ccccc2nc1N.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.O=S([O-])c1ccccc1
InChIInChI=1S/C20H22N4O.C16H26N6.C16H23N5O.C16H22N4OS.C16H20N2O.C14H18N2.C12H15N3.C6H6O2S/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;1-10(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)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;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;1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10;7-9(8)6-4-2-1-3-5-6/h5-12H,1-4H3,(H,21,25)(H,23,24);9-11H,6-8,17H2,1-5H3;6,9-10,17H,4-5,7-8H2,1-3H3,(H2,18,19,20,21,22);7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3;4-7H,1-3H3,(H2,13,15);1-5H,(H,7,8)/p-1
InChIKeyCBIIMVMQRFIXIT-UHFFFAOYSA-M
XLogP20.81
TPSA463.07 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.79
LogP ≤ 520.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one with MolForge

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Related Compounds

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
2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 157355663
2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 157369692
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
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
[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;tert-butyl 4-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
CID 158196062
molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 158301911
3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-6-carboxamide;[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-(3-methylpyrrolidin-1-yl)methanone;1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methylsulfonylbutan-1-one;3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-methyl-N-(2-methylsulfonylethyl)-1H-indole-7-carboxamide;5-[4-[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(1H-pyrrolo[2,3-c]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 158448583
4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 158504109
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
4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-N-methylbenzamide;(4R)-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propanoic acid;4-[(2,4-diaminopteridin-6-yl)methylamino]-N-methylbenzamide;N-methyl-5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carboxamide;(4R)-4-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanoic acid;(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]propanoic acid
CID 158693097

Frequently Asked Questions

What is the IUPAC name of 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The IUPAC name of 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (CID 162073709) is 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.
What is the SMILES notation for 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The canonical SMILES for 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2[nH]ccc12.CC(C)(C)c1nc2ccccc2nc1N.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.O=S([O-])c1ccccc1.
What is the InChIKey of 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The InChIKey is CBIIMVMQRFIXIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N4O.C16H26N6.C16H23N5O.C16H22N4OS.C16H20N2O.C14H18N2.C12H15N3.C6H6O2S/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;1-10(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)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;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;1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10;7-9(8)6-4-2-1-3-5-6/h5-12H,1-4H3,(H,21,25)(H,23,24);9-11H,6-8,17H2,1-5H3;6,9-10,17H,4-5,7-8H2,1-3H3,(H2,18,19,20,21,22);7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3;4-7H,1-3H3,(H2,13,15);1-5H,(H,7,8)/p-1.
What are the key properties of 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one has a molecular weight of 2069.79 g/mol, XLogP of 20.81, 14 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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;N-(4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;(4-tert-butylquinolin-7-yl)methanamine;3-tert-butylquinoxalin-2-amine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is sourced from PubChem (CID 162073709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).