N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

C166H234N70O7S — CID 158737681

IUPACN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ncnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H13N5.2C9H12N4O.C9H12N4S.3C9H12N4.C8H12N2O.2C7H11N3O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;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)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyILWQVILJKRKISW-UHFFFAOYSA-N
MW3354.25 g/mol
LogP27.82
Rot. Bonds34

About N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (PubChem CID 158737681) has the molecular formula C166H234N70O7S and a molecular weight of 3354.25 g/mol. Its IUPAC name is N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

Compound NameN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
PubChem CID158737681
Molecular FormulaC166H234N70O7S
Molecular Weight3354.25 g/mol
Exact Mass3351.98
IUPAC NameN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ncnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H13N5.2C9H12N4O.C9H12N4S.3C9H12N4.C8H12N2O.2C7H11N3O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;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)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyILWQVILJKRKISW-UHFFFAOYSA-N
XLogP27.82
TPSA931.62 Ų
H-Bond Donors11
H-Bond Acceptors77
Rotatable Bonds34
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.25
LogP ≤ 527.82
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1077

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (CID 158737681) is N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.
What is the SMILES notation for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The canonical SMILES for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ncnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1ncnc2c1ncn2C(C)C.
What is the InChIKey of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The InChIKey is ILWQVILJKRKISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H13N5.2C9H12N4O.C9H12N4S.3C9H12N4.C8H12N2O.2C7H11N3O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;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)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 3354.25 g/mol, XLogP of 27.82, 34 rotatable bonds, 11 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 158737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).