N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C115H162FN51O6S — CID 158571439

IUPACN,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(NCCO)ncnc21.CCCNc1ncnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSC1=NC=NC2C1N=CN2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H17N5.C11H16N4O.C10H15N5O.C10H15N5.C10H14N4.C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4O.C9H14N4S.C9H11N3O.C8H11N5/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;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;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h6-8H,4-5H2,1-3H3,(H,12,13,14);6-7H,5H2,1-4H3;5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14);4-8H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyHSDALDGWAAENKE-UHFFFAOYSA-N
MW2405.98 g/mol
LogP17.60
Rot. Bonds23

About N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 158571439) has the molecular formula C115H162FN51O6S and a molecular weight of 2405.98 g/mol. Its IUPAC name is N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID158571439
Molecular FormulaC115H162FN51O6S
Molecular Weight2405.98 g/mol
Exact Mass2404.36
IUPAC NameN,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(NCCO)ncnc21.CCCNc1ncnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSC1=NC=NC2C1N=CN2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H17N5.C11H16N4O.C10H15N5O.C10H15N5.C10H14N4.C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4O.C9H14N4S.C9H11N3O.C8H11N5/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;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;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h6-8H,4-5H2,1-3H3,(H,12,13,14);6-7H,5H2,1-4H3;5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14);4-8H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyHSDALDGWAAENKE-UHFFFAOYSA-N
XLogP17.60
TPSA668.66 Ų
H-Bond Donors7
H-Bond Acceptors56
Rotatable Bonds23
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002405.98
LogP ≤ 517.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1056

Analyze N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-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 N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 158571439) is N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(NCCO)ncnc21.CCCNc1ncnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSC1=NC=NC2C1N=CN2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is HSDALDGWAAENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.C11H16N4O.C10H15N5O.C10H15N5.C10H14N4.C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4O.C9H14N4S.C9H11N3O.C8H11N5/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;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;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h6-8H,4-5H2,1-3H3,(H,12,13,14);6-7H,5H2,1-4H3;5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14);4-8H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 2405.98 g/mol, XLogP of 17.60, 23 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-propan-2-ylpurin-6-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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-yl-4,5-dihydropurine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 158571439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).