2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine

C62H84N30O4 — CID 159013458

IUPAC2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C
InChIInChI=1S/C11H16N4O.C10H13N3.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.C7H10N6O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10);3H,1-2H3,(H3,8,9,10,14)
InChIKeyJSUCYMLKPVXFNX-UHFFFAOYSA-N
MW1313.56 g/mol
LogP8.61
Rot. Bonds9

About 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine

2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (PubChem CID 159013458) has the molecular formula C62H84N30O4 and a molecular weight of 1313.56 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
PubChem CID159013458
Molecular FormulaC62H84N30O4
Molecular Weight1313.56 g/mol
Exact Mass1312.73
IUPAC Name2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C
InChIInChI=1S/C11H16N4O.C10H13N3.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.C7H10N6O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10);3H,1-2H3,(H3,8,9,10,14)
InChIKeyJSUCYMLKPVXFNX-UHFFFAOYSA-N
XLogP8.61
TPSA462.34 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001313.56
LogP ≤ 58.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (CID 159013458) is 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is CC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.
What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The InChIKey is JSUCYMLKPVXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C10H13N3.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.C7H10N6O/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10);3H,1-2H3,(H3,8,9,10,14).
What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine has a molecular weight of 1313.56 g/mol, XLogP of 8.61, 9 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propan-2-yl-1H-purin-6-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 159013458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).