ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one

C164H258N42O2 — CID 158570022

IUPACethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2cnn(C)c12.CC(C)c1ncnc2ncn(C)c12.CC(C)c1ncnn2cncc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C
InChIInChI=1S/2C12H13N.C11H16N4O.C10H13N3.C10H15N3.C10H14N2O.C10H12N2.4C9H12N4.2C9H11N3.C8H10N4.13C2H6.CH4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)7-8-9(11-4-10-7)12-5-13(8)3;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;13*1-2;/h2*3-9H,1-2H3;6H,1-5H3;4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;13*1-2H3;1H4
InChIKeyHRYRHPUSLXEJPM-UHFFFAOYSA-N
MW2850.16 g/mol
LogP40.16
Rot. Bonds14

About ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one

ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one (PubChem CID 158570022) has the molecular formula C164H258N42O2 and a molecular weight of 2850.16 g/mol. Its IUPAC name is ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one.

Molecular Properties

Compound Nameethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
PubChem CID158570022
Molecular FormulaC164H258N42O2
Molecular Weight2850.16 g/mol
Exact Mass2848.14
IUPAC Nameethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2cnn(C)c12.CC(C)c1ncnc2ncn(C)c12.CC(C)c1ncnn2cncc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C
InChIInChI=1S/2C12H13N.C11H16N4O.C10H13N3.C10H15N3.C10H14N2O.C10H12N2.4C9H12N4.2C9H11N3.C8H10N4.13C2H6.CH4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)7-8-9(11-4-10-7)12-5-13(8)3;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;13*1-2;/h2*3-9H,1-2H3;6H,1-5H3;4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;13*1-2H3;1H4
InChIKeyHRYRHPUSLXEJPM-UHFFFAOYSA-N
XLogP40.16
TPSA477.18 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds14
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.16
LogP ≤ 540.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one with MolForge

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Launch Full Analysis

Related Compounds

1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157854620
azane;5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158080952
3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 158202317
6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane
CID 158483810
5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158883797
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-(2-phenylethyl)piperazin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 159563824
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclopentyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 161233085
6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrrolo[3,2-c]pyridine;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-methyl-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 161710590
3-(Indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 161865811
3-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N,N-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 58529347
3-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 71194203
2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-methylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate
CID 91301558

Frequently Asked Questions

What is the IUPAC name of ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The IUPAC name of ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one (CID 158570022) is ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one.
What is the SMILES notation for ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The canonical SMILES for ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1ncn2C.CC(C)c1ncnc2cnn(C)c12.CC(C)c1ncnc2ncn(C)c12.CC(C)c1ncnn2cncc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C.
What is the InChIKey of ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The InChIKey is HRYRHPUSLXEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C11H16N4O.C10H13N3.C10H15N3.C10H14N2O.C10H12N2.4C9H12N4.2C9H11N3.C8H10N4.13C2H6.CH4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)7-8-9(11-4-10-7)12-5-13(8)3;1-6(2)7-8-9(11-4-10-7)13(3)5-12-8;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;13*1-2;/h2*3-9H,1-2H3;6H,1-5H3;4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;13*1-2H3;1H4.
What are the key properties of ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one has a molecular weight of 2850.16 g/mol, XLogP of 40.16, 14 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;7-methyl-6-propan-2-ylpurine;9-methyl-6-propan-2-ylpurine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;1-propan-2-ylisoquinoline;4-propan-2-ylquinoline;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one is sourced from PubChem (CID 158570022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).