2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

C147H195Cl3F2N86O4 — CID 158442198

IUPAC2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)c1ccc2c(N)ncnn12.CC(C)c1cnc2c(N)ncnn12.CC(C)c1cnn2c(=O)[nH]c(N)nc12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1ccc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1cnc2c(N)nnnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOc1nc(N)nc2c1ncn2C(C)C
InChIInChI=1S/C10H15N5O.C9H11FN4.2C9H12N4.C8H10ClN5.2C8H9ClN4.C8H10FN5.2C8H11N5O.5C8H11N5.C8H10N4O.2C7H10N6/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-6(2)7-3-4-8-9(10)11-5-12-13(7)8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)5-3-10-13-6(5)11-7(9)12-8(13)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)6-3-10-8-7(9)11-4-12-13(6)8;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-4(2)13-3-9-5-6(8)10-12-11-7(5)13/h5-6H,4H2,1-3H3,(H2,11,13,14);3-5H,1-2H3,(H2,11,12,13);2*3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,12,13);2*3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10);3-4H,1-2H3,(H2,8,10,11)
InChIKeyHCYMGOIQSCKUGX-UHFFFAOYSA-N
MW3375.13 g/mol
LogP19.55
Rot. Bonds20

About 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 158442198) has the molecular formula C147H195Cl3F2N86O4 and a molecular weight of 3375.13 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID158442198
Molecular FormulaC147H195Cl3F2N86O4
Molecular Weight3375.13 g/mol
Exact Mass3371.67
IUPAC Name2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)c1ccc2c(N)ncnn12.CC(C)c1cnc2c(N)ncnn12.CC(C)c1cnn2c(=O)[nH]c(N)nc12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1ccc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1cnc2c(N)nnnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOc1nc(N)nc2c1ncn2C(C)C
InChIInChI=1S/C10H15N5O.C9H11FN4.2C9H12N4.C8H10ClN5.2C8H9ClN4.C8H10FN5.2C8H11N5O.5C8H11N5.C8H10N4O.2C7H10N6/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-6(2)7-3-4-8-9(10)11-5-12-13(7)8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)5-3-10-13-6(5)11-7(9)12-8(13)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)6-3-10-8-7(9)11-4-12-13(6)8;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-4(2)13-3-9-5-6(8)10-12-11-7(5)13/h5-6H,4H2,1-3H3,(H2,11,13,14);3-5H,1-2H3,(H2,11,12,13);2*3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,12,13);2*3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10);3-4H,1-2H3,(H2,8,10,11)
InChIKeyHCYMGOIQSCKUGX-UHFFFAOYSA-N
XLogP19.55
TPSA1229.27 Ų
H-Bond Donors18
H-Bond Acceptors87
Rotatable Bonds20
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.13
LogP ≤ 519.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1087

Analyze 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-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;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (CID 158442198) is 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is CC(C)c1ccc2c(N)ncnn12.CC(C)c1cnc2c(N)ncnn12.CC(C)c1cnn2c(=O)[nH]c(N)nc12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1ccc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1cnc2c(N)nnnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOc1nc(N)nc2c1ncn2C(C)C.
What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HCYMGOIQSCKUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.C9H11FN4.2C9H12N4.C8H10ClN5.2C8H9ClN4.C8H10FN5.2C8H11N5O.5C8H11N5.C8H10N4O.2C7H10N6/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-6(2)7-3-4-8-9(10)11-5-12-13(7)8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)5-3-10-13-6(5)11-7(9)12-8(13)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)6-3-10-8-7(9)11-4-12-13(6)8;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-4(2)13-3-9-5-6(8)10-12-11-7(5)13/h5-6H,4H2,1-3H3,(H2,11,13,14);3-5H,1-2H3,(H2,11,12,13);2*3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,12,13);2*3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,11,12);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10);3-4H,1-2H3,(H2,8,10,11).
What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 3375.13 g/mol, XLogP of 19.55, 20 rotatable bonds, 18 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 158442198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).