5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine

C140H203N67O4 — CID 157425035

IUPAC5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine
SMILESC=C(N)c1cn(C(C)C)nn1.C=C(N)c1cnn(C(C)C)c1.C=C(N)c1ncn(C(C)C)c1N.C=C(N)c1ncn(C(C)C)n1.CC(C)n1ccc2c(=O)[nH]cnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1ncc2c(N)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ncnc21.CC(C)n1nnc2c(N)ncnc21.CC1=C(C(C)C)c2nc(C)nc(C)c2C1.Cc1cccc2c1ncn2C(C)C.Cc1nc(C)c2c(C)c(C)n(C(C)C)c2n1.Cc1nc(C)c2c(C)nn(C(C)C)c2n1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H19N3.C13H18N2.C11H16N4.C11H14N2.C9H11N3O.C8H12N6.C8H11N5O.C8H11N5.C8H10N4O.C8H14N4.C8H13N3.C7H10N6O.2C7H10N6.2C7H12N4/c1-7(2)16-10(5)8(3)12-9(4)14-11(6)15-13(12)16;1-7(2)12-8(3)6-11-9(4)14-10(5)15-13(11)12;1-6(2)15-11-10(8(4)14-15)7(3)12-9(5)13-11;1-8(2)13-7-12-11-9(3)5-4-6-10(11)13;1-6(2)12-4-3-7-8(12)10-5-11-9(7)13;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)12-4-11-7(6(3)9)8(12)10;1-6(2)11-5-8(4-10-11)7(3)9;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5;2*1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-5(2)11-4-9-7(10-11)6(3)8;1-5(2)11-4-7(6(3)8)9-10-11/h7H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;4-8H,1-3H3;3-6H,1-2H3,(H,10,11,13);3-4H,1-2H3,(H4,9,10,12,13);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H,9,10,13);4-5H,3,9-10H2,1-2H3;4-6H,3,9H2,1-2H3;3H,1-2H3,(H3,8,9,10,14);2*3-4H,1-2H3,(H2,8,9,10);2*4-5H,3,8H2,1-2H3
InChIKeyBPWAKECDJVEWKB-UHFFFAOYSA-N
MW2888.63 g/mol
LogP19.95
Rot. Bonds20

About 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine

5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine (PubChem CID 157425035) has the molecular formula C140H203N67O4 and a molecular weight of 2888.63 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine
PubChem CID157425035
Molecular FormulaC140H203N67O4
Molecular Weight2888.63 g/mol
Exact Mass2886.77
IUPAC Name5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine
SMILESC=C(N)c1cn(C(C)C)nn1.C=C(N)c1cnn(C(C)C)c1.C=C(N)c1ncn(C(C)C)c1N.C=C(N)c1ncn(C(C)C)n1.CC(C)n1ccc2c(=O)[nH]cnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1ncc2c(N)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ncnc21.CC(C)n1nnc2c(N)ncnc21.CC1=C(C(C)C)c2nc(C)nc(C)c2C1.Cc1cccc2c1ncn2C(C)C.Cc1nc(C)c2c(C)c(C)n(C(C)C)c2n1.Cc1nc(C)c2c(C)nn(C(C)C)c2n1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H19N3.C13H18N2.C11H16N4.C11H14N2.C9H11N3O.C8H12N6.C8H11N5O.C8H11N5.C8H10N4O.C8H14N4.C8H13N3.C7H10N6O.2C7H10N6.2C7H12N4/c1-7(2)16-10(5)8(3)12-9(4)14-11(6)15-13(12)16;1-7(2)12-8(3)6-11-9(4)14-10(5)15-13(11)12;1-6(2)15-11-10(8(4)14-15)7(3)12-9(5)13-11;1-8(2)13-7-12-11-9(3)5-4-6-10(11)13;1-6(2)12-4-3-7-8(12)10-5-11-9(7)13;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)12-4-11-7(6(3)9)8(12)10;1-6(2)11-5-8(4-10-11)7(3)9;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5;2*1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-5(2)11-4-9-7(10-11)6(3)8;1-5(2)11-4-7(6(3)8)9-10-11/h7H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;4-8H,1-3H3;3-6H,1-2H3,(H,10,11,13);3-4H,1-2H3,(H4,9,10,12,13);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H,9,10,13);4-5H,3,9-10H2,1-2H3;4-6H,3,9H2,1-2H3;3H,1-2H3,(H3,8,9,10,14);2*3-4H,1-2H3,(H2,8,9,10);2*4-5H,3,8H2,1-2H3
InChIKeyBPWAKECDJVEWKB-UHFFFAOYSA-N
XLogP19.95
TPSA968.54 Ų
H-Bond Donors15
H-Bond Acceptors67
Rotatable Bonds20
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.63
LogP ≤ 519.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1067

Analyze 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine with MolForge

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Related Compounds

TRK degrader CG416
CID 146410659
4-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469439
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079804
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538666
N-(6-(1-(1-(1H-imidazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo(1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538686
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(pyridin-4-ylcarbamoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538771
US11071730, Example 161
CID 146639989
4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-6-oxohexyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162662408
N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 53262090
N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
CID 67259558
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259639

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine (CID 157425035) is 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine is C=C(N)c1cn(C(C)C)nn1.C=C(N)c1cnn(C(C)C)c1.C=C(N)c1ncn(C(C)C)c1N.C=C(N)c1ncn(C(C)C)n1.CC(C)n1ccc2c(=O)[nH]cnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1ncc2c(N)ncnc21.CC(C)n1nnc2c(=O)[nH]c(N)nc21.CC(C)n1nnc2c(N)ncnc21.CC(C)n1nnc2c(N)ncnc21.CC1=C(C(C)C)c2nc(C)nc(C)c2C1.Cc1cccc2c1ncn2C(C)C.Cc1nc(C)c2c(C)c(C)n(C(C)C)c2n1.Cc1nc(C)c2c(C)nn(C(C)C)c2n1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The InChIKey is BPWAKECDJVEWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.C13H18N2.C11H16N4.C11H14N2.C9H11N3O.C8H12N6.C8H11N5O.C8H11N5.C8H10N4O.C8H14N4.C8H13N3.C7H10N6O.2C7H10N6.2C7H12N4/c1-7(2)16-10(5)8(3)12-9(4)14-11(6)15-13(12)16;1-7(2)12-8(3)6-11-9(4)14-10(5)15-13(11)12;1-6(2)15-11-10(8(4)14-15)7(3)12-9(5)13-11;1-8(2)13-7-12-11-9(3)5-4-6-10(11)13;1-6(2)12-4-3-7-8(12)10-5-11-9(7)13;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)12-4-11-7(6(3)9)8(12)10;1-6(2)11-5-8(4-10-11)7(3)9;1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5;2*1-4(2)13-7-5(11-12-13)6(8)9-3-10-7;1-5(2)11-4-9-7(10-11)6(3)8;1-5(2)11-4-7(6(3)8)9-10-11/h7H,1-6H3;7H,6H2,1-5H3;6H,1-5H3;4-8H,1-3H3;3-6H,1-2H3,(H,10,11,13);3-4H,1-2H3,(H4,9,10,12,13);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H,9,10,13);4-5H,3,9-10H2,1-2H3;4-6H,3,9H2,1-2H3;3H,1-2H3,(H3,8,9,10,14);2*3-4H,1-2H3,(H2,8,9,10);2*4-5H,3,8H2,1-2H3.
What are the key properties of 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine?
5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine has a molecular weight of 2888.63 g/mol, XLogP of 19.95, 20 rotatable bonds, 15 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;4-methyl-1-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-(1-propan-2-ylpyrazol-4-yl)ethenamine;7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine);1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethenamine;1-(1-propan-2-yltriazol-4-yl)ethenamine;2,4,5,6-tetramethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2,4,6-trimethyl-7-propan-2-yl-5H-cyclopenta[d]pyrimidine;3,4,6-trimethyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 157425035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).