6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C148H194F3N61O12S — CID 159262868

IUPAC6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.4C10H13N3O.C10H13N3S.C9H11FN4O.2C9H12N4O.C8H10FN5.C8H11N5O.C8H11N5.2C8H10N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,14);4-7H,1-3H3;4H,1-3H3,(H,11,12,15);2*4-5H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13)
InChIKeyKWSQPNHJDARMBW-UHFFFAOYSA-N
MW3108.66 g/mol
LogP22.20
Rot. Bonds21

About 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 159262868) has the molecular formula C148H194F3N61O12S and a molecular weight of 3108.66 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID159262868
Molecular FormulaC148H194F3N61O12S
Molecular Weight3108.66 g/mol
Exact Mass3106.61
IUPAC Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.4C10H13N3O.C10H13N3S.C9H11FN4O.2C9H12N4O.C8H10FN5.C8H11N5O.C8H11N5.2C8H10N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,14);4-7H,1-3H3;4H,1-3H3,(H,11,12,15);2*4-5H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13)
InChIKeyKWSQPNHJDARMBW-UHFFFAOYSA-N
XLogP22.20
TPSA902.31 Ų
H-Bond Donors12
H-Bond Acceptors64
Rotatable Bonds21
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.66
LogP ≤ 522.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1064

Analyze 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 159262868) is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is KWSQPNHJDARMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.4C10H13N3O.C10H13N3S.C9H11FN4O.2C9H12N4O.C8H10FN5.C8H11N5O.C8H11N5.2C8H10N4O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,14);4-7H,1-3H3;4H,1-3H3,(H,11,12,15);2*4-5H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13).
What are the key properties of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 3108.66 g/mol, XLogP of 22.20, 21 rotatable bonds, 12 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 159262868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).