N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine

C160H201N35O11S — CID 161487012

IUPACN-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1nccnc1C(C)C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1ccc(C(N)=O)c(C(C)C)n1.Cc1cnc(Cn2cnc3c(C(C)C)ncnc32)cn1.[C-]#[N+]c1cccc(-c2nc3c(C(C)C)ncnc3n2C)c1
InChIInChI=1S/C16H15N5.C16H18N2O.C15H18N2O.C14H16N6.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H14N2O.C10H16N2.C10H11NS.C7H11N3/c1-10(2)13-14-16(19-9-18-13)21(4)15(20-14)11-6-5-7-12(8-11)17-3;1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-9(2)12-13-14(18-7-17-12)20(8-19-13)6-11-5-15-10(3)4-16-11;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7(8)10-4-9-6/h5-10H,1-2,4H3;3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3,(H2,11,13);5-8H,1-4H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyWFCIEJULLNYICV-UHFFFAOYSA-N
MW2822.67 g/mol
LogP32.61
Rot. Bonds32

About N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine

N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine (PubChem CID 161487012) has the molecular formula C160H201N35O11S and a molecular weight of 2822.67 g/mol. Its IUPAC name is N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
PubChem CID161487012
Molecular FormulaC160H201N35O11S
Molecular Weight2822.67 g/mol
Exact Mass2820.60
IUPAC NameN-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1nccnc1C(C)C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1ccc(C(N)=O)c(C(C)C)n1.Cc1cnc(Cn2cnc3c(C(C)C)ncnc32)cn1.[C-]#[N+]c1cccc(-c2nc3c(C(C)C)ncnc3n2C)c1
InChIInChI=1S/C16H15N5.C16H18N2O.C15H18N2O.C14H16N6.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H14N2O.C10H16N2.C10H11NS.C7H11N3/c1-10(2)13-14-16(19-9-18-13)21(4)15(20-14)11-6-5-7-12(8-11)17-3;1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-9(2)12-13-14(18-7-17-12)20(8-19-13)6-11-5-15-10(3)4-16-11;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7(8)10-4-9-6/h5-10H,1-2,4H3;3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3,(H2,11,13);5-8H,1-4H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyWFCIEJULLNYICV-UHFFFAOYSA-N
XLogP32.61
TPSA583.06 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002822.67
LogP ≤ 532.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-propan-2-ylpyridine-3-carboxamide;5-chloro-2-propan-2-ylpyridine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;3-propan-2-ylpyrazine-2-carbonitrile;2-propan-2-ylpyridine-3-carbonitrile;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine;2-propan-2-ylpyrimidine;2-propan-2-yl-3-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine;N,N,6-trimethyl-2-propan-2-ylpyrimidin-4-amine
CID 158564707
tert-butyl 6-[1-(1,3-benzothiazol-2-ylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-[1-[[3,5-dimethyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylate
CID 121376391
tert-butyl 4-[4-[[[3-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]phenyl]piperazine-1-carboxylate;3-ethoxycarbonyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 157142478
CID 158280009
CID 158280009
8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 159105824
2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;3-[[2-(dimethylamino)ethylamino]methyl]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 159381751
N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
CID 159641198
5-(aminomethyl)-2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-3-phenylquinazolin-4-one;ethyl 2-formyl-1,3-thiazole-4-carboxylate;ethyl 2-[[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxylate
CID 160000918
2-butyl-6-(cyclohexylamino)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;2-butyl-6-[2-(methylamino)ethylamino]-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-2-(2-methylpropyl)-N-[2-[6-(piperidin-4-yloxymethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyrimidine-4-carboxamide;methane
CID 160098692
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 160187837
2-methyl-N-[2-(3-methylbutanoyl)phenyl]propanamide;2-methyl-N-[3-(3-methylbutanoyl)phenyl]propanamide;2-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]propanamide;2-methyl-N-[5-(3-methylbutanoyl)-1,3-thiazol-2-yl]propanamide;2-methyl-N-[1-methyl-2-(3-methylbutanoyl)imidazol-4-yl]propanamide;bis(2-methyl-N-[1-methyl-5-(3-methylbutanoyl)pyrrol-3-yl]propanamide);3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]butan-1-one;propan-2-yl 1-methyl-4-(2-methylpropanoylamino)pyrrole-2-carboxylate
CID 160343434
CID 160386853
CID 160386853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine (CID 161487012) is N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)ncn1.CC(C)c1ccc(C(=O)c2ccccn2)cn1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccc1C(=O)N1CCOCC1.CC(C)c1ncccc1C(=O)NCc1ccccc1.CC(C)c1nccnc1C(C)C.CC(C)c1ncnc2c1ncn2C1CCCCO1.CCOC(=O)c1cc(C)nc(C(C)C)n1.CCOC(=O)c1cnc(C)nc1C(C)C.COCc1cc(C(C)C)nc(-c2ccccc2)n1.Cc1ccc(C(N)=O)c(C(C)C)n1.Cc1cnc(Cn2cnc3c(C(C)C)ncnc32)cn1.[C-]#[N+]c1cccc(-c2nc3c(C(C)C)ncnc3n2C)c1.
What is the InChIKey of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WFCIEJULLNYICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5.C16H18N2O.C15H18N2O.C14H16N6.C14H14N2O.C13H18N4O.C13H18N2O2.2C11H16N2O2.C10H14N2O.C10H16N2.C10H11NS.C7H11N3/c1-10(2)13-14-16(19-9-18-13)21(4)15(20-14)11-6-5-7-12(8-11)17-3;1-12(2)15-14(9-6-10-17-15)16(19)18-11-13-7-4-3-5-8-13;1-11(2)14-9-13(10-18-3)16-15(17-14)12-7-5-4-6-8-12;1-9(2)12-13-14(18-7-17-12)20(8-19-13)6-11-5-15-10(3)4-16-11;1-10(2)12-7-6-11(9-16-12)14(17)13-5-3-4-8-15-13;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-18-10;1-10(2)12-11(4-3-5-14-12)13(16)15-6-8-17-9-7-15;1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3;1-5-15-11(14)9-6-8(4)12-10(13-9)7(2)3;1-6(2)9-8(10(11)13)5-4-7(3)12-9;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-3-7(8)10-4-9-6/h5-10H,1-2,4H3;3-10,12H,11H2,1-2H3,(H,18,19);4-9,11H,10H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-10H,1-2H3;7-10H,3-6H2,1-2H3;3-5,10H,6-9H2,1-2H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3,(H2,11,13);5-8H,1-4H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10).
What are the key properties of N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine?
N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine has a molecular weight of 2822.67 g/mol, XLogP of 32.61, 32 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 161487012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).