1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine

C60H67N13O2S — CID 158296774

IUPAC1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine
SMILESCC=Cc1cccnc1C.Cc1cc2c(C)ncnc2[nH]1.Cc1cccc2c1ccn2C.Cc1cnc(C)[nH]1.Cc1nccc2ccoc12.Cc1nccc2occc12.Cc1nccn1C.Cc1ncnc2sccc12
InChIInChI=1S/C10H11N.C9H11N.C8H9N3.2C8H7NO.C7H6N2S.2C5H8N2/c1-8-4-3-5-10-9(8)6-7-11(10)2;1-3-5-9-6-4-7-10-8(9)2;1-5-3-7-6(2)9-4-10-8(7)11-5;1-6-7-3-5-10-8(7)2-4-9-6;1-6-8-7(2-4-9-6)3-5-10-8;1-5-6-2-3-10-7(6)9-4-8-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4/h3-7H,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H,9,10,11);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7)
InChIKeyGLZWVCMBZPUOBQ-UHFFFAOYSA-N
MW1034.35 g/mol
LogP14.51
Rot. Bonds1

About 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine

1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine (PubChem CID 158296774) has the molecular formula C60H67N13O2S and a molecular weight of 1034.35 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine
PubChem CID158296774
Molecular FormulaC60H67N13O2S
Molecular Weight1034.35 g/mol
Exact Mass1033.53
IUPAC Name1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine
SMILESCC=Cc1cccnc1C.Cc1cc2c(C)ncnc2[nH]1.Cc1cccc2c1ccn2C.Cc1cnc(C)[nH]1.Cc1nccc2ccoc12.Cc1nccc2occc12.Cc1nccn1C.Cc1ncnc2sccc12
InChIInChI=1S/C10H11N.C9H11N.C8H9N3.2C8H7NO.C7H6N2S.2C5H8N2/c1-8-4-3-5-10-9(8)6-7-11(10)2;1-3-5-9-6-4-7-10-8(9)2;1-5-3-7-6(2)9-4-10-8(7)11-5;1-6-7-3-5-10-8(7)2-4-9-6;1-6-8-7(2-4-9-6)3-5-10-8;1-5-6-2-3-10-7(6)9-4-8-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4/h3-7H,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H,9,10,11);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7)
InChIKeyGLZWVCMBZPUOBQ-UHFFFAOYSA-N
XLogP14.51
TPSA183.73 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.35
LogP ≤ 514.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
8-(cyclobutylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-[2-[2-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine
CID 159507027
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-(5,6-dimethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;6-ethyl-2,4-dipyridin-3-yloxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;6-[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylamino]pyridine-3-carboxylic acid;6-ethyl-4-(3-imidazol-1-ylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-ethyl-7-methyl-10-methylsulfanyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-one;tris(1,1,1-trifluoropropan-2-one)
CID 160899762
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91539982
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine (CID 158296774) is 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine is CC=Cc1cccnc1C.Cc1cc2c(C)ncnc2[nH]1.Cc1cccc2c1ccn2C.Cc1cnc(C)[nH]1.Cc1nccc2ccoc12.Cc1nccc2occc12.Cc1nccn1C.Cc1ncnc2sccc12.
What is the InChIKey of 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine?
The InChIKey is GLZWVCMBZPUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H11N.C8H9N3.2C8H7NO.C7H6N2S.2C5H8N2/c1-8-4-3-5-10-9(8)6-7-11(10)2;1-3-5-9-6-4-7-10-8(9)2;1-5-3-7-6(2)9-4-10-8(7)11-5;1-6-7-3-5-10-8(7)2-4-9-6;1-6-8-7(2-4-9-6)3-5-10-8;1-5-6-2-3-10-7(6)9-4-8-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4/h3-7H,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H,9,10,11);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7).
What are the key properties of 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine?
1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine has a molecular weight of 1034.35 g/mol, XLogP of 14.51, 1 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 158296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).