2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine

C138H185ClF3N71O13 — CID 158574988

IUPAC2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine
SMILESCC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CNC2O.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)nccc21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COCCC1N=CNc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O.C10H15N5O.C9H11FN4O.C9H11N5O.C9H13N5.2C9H12N4O.C9H11N3O.C8H9ClN4O.C8H10FN5O.C8H9FN4O.2C8H11N5.C8H10N4O.C8H12N4O.C7H10N6O/c1-8(2)15-7-14-10-9(4-5-16-3)12-6-13-11(10)15;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-6-3-4-10-8(9)7(6)11-12-13;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-9H,4-5H2,1-3H3,(H,12,13);5-6H,4H2,1-3H3,(H2,11,13,14);3-4H,1-2H3,(H3,11,12,13,15);3-5H,1-2H3,(H2,10,15);4-6H,1-3H3,(H,10,11,13);3-5H,1-2H3,(H3,10,12,14);3-5H,1-2H3,(H3,10,11,12,14);4-5H,3H2,1-2H3,(H,11,12,13);3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H,11,12,14);3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,9,10,13);3-5,8-9,13H,1-2H3;3H,1-2H3,(H3,8,9,10,14)
InChIKeyHSNXKHPXUSDJEV-UHFFFAOYSA-N
MW3138.93 g/mol
LogP14.11
Rot. Bonds23

About 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine

2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine (PubChem CID 158574988) has the molecular formula C138H185ClF3N71O13 and a molecular weight of 3138.93 g/mol. Its IUPAC name is 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine
PubChem CID158574988
Molecular FormulaC138H185ClF3N71O13
Molecular Weight3138.93 g/mol
Exact Mass3136.56
IUPAC Name2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine
SMILESCC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CNC2O.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)nccc21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COCCC1N=CNc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O.C10H15N5O.C9H11FN4O.C9H11N5O.C9H13N5.2C9H12N4O.C9H11N3O.C8H9ClN4O.C8H10FN5O.C8H9FN4O.2C8H11N5.C8H10N4O.C8H12N4O.C7H10N6O/c1-8(2)15-7-14-10-9(4-5-16-3)12-6-13-11(10)15;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-6-3-4-10-8(9)7(6)11-12-13;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-9H,4-5H2,1-3H3,(H,12,13);5-6H,4H2,1-3H3,(H2,11,13,14);3-4H,1-2H3,(H3,11,12,13,15);3-5H,1-2H3,(H2,10,15);4-6H,1-3H3,(H,10,11,13);3-5H,1-2H3,(H3,10,12,14);3-5H,1-2H3,(H3,10,11,12,14);4-5H,3H2,1-2H3,(H,11,12,13);3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H,11,12,14);3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,9,10,13);3-5,8-9,13H,1-2H3;3H,1-2H3,(H3,8,9,10,14)
InChIKeyHSNXKHPXUSDJEV-UHFFFAOYSA-N
XLogP14.11
TPSA1145.29 Ų
H-Bond Donors22
H-Bond Acceptors74
Rotatable Bonds23
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003138.93
LogP ≤ 514.11
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1074

Analyze 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine (CID 158574988) is 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine is CC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CNC2O.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)nccc21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COCCC1N=CNc2c1ncn2C(C)C.
What is the InChIKey of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is HSNXKHPXUSDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.C10H15N5O.C9H11FN4O.C9H11N5O.C9H13N5.2C9H12N4O.C9H11N3O.C8H9ClN4O.C8H10FN5O.C8H9FN4O.2C8H11N5.C8H10N4O.C8H12N4O.C7H10N6O/c1-8(2)15-7-14-10-9(4-5-16-3)12-6-13-11(10)15;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-6-3-4-10-8(9)7(6)11-12-13;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h6-9H,4-5H2,1-3H3,(H,12,13);5-6H,4H2,1-3H3,(H2,11,13,14);3-4H,1-2H3,(H3,11,12,13,15);3-5H,1-2H3,(H2,10,15);4-6H,1-3H3,(H,10,11,13);3-5H,1-2H3,(H3,10,12,14);3-5H,1-2H3,(H3,10,11,12,14);4-5H,3H2,1-2H3,(H,11,12,13);3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H,11,12,14);3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,9,10,13);3-5,8-9,13H,1-2H3;3H,1-2H3,(H3,8,9,10,14).
What are the key properties of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine?
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 3138.93 g/mol, XLogP of 14.11, 23 rotatable bonds, 22 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-(2-methoxyethyl)-9-propan-2-yl-3,6-dihydropurine;N-methyl-9-propan-2-ylpurin-2-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-ol;9-propan-2-ylpurine-6-carboxamide;9-propan-2-yl-1H-purin-6-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-propan-2-yltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 158574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).