N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one

C115H159N49O6S — CID 158158009

IUPACN,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one
SMILESCC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2c1N=CCC2N.CC(C)n1cnc2c1N=CCC2N(C)C.CC(C)n1cnc2cnc(N)nc21.COc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c([nH]c(=S)n2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(-c3ccccc3)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H16N4O.C11H18N4.C10H14N4O.C10H15N3.C9H12N4OS.2C9H12N4O.C9H14N4.C9H13N3.C8H12N6.C8H11N5.C8H10N4O/c1-9(2)19-13(11-7-5-4-6-8-11)18-12-14(19)16-10(3)17-15(12)20;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-6(2)14-5-11-8-9(14)12-7(3)13-10(8)15-4;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-4(2)13-7-6(12-9(13)15)8(14)11-5(3)10-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)13-4-11-6-3-10-8(9)12-7(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h4-9H,1-3H3,(H,16,17,20);6-9H,5H2,1-4H3;5-6H,1-4H3;4-7,9H,3,11H2,1-2H3;4H,1-3H3,(H,12,15)(H,10,11,14);2*4-5H,1-3H3,(H,11,12,14);4-7H,3,10H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H4,9,10,12,13);3-5H,1-2H3,(H2,9,10,12);3-5H,1-2H3,(H,9,10,13)
InChIKeyFVXVSQQSOLUEKZ-UHFFFAOYSA-N
MW2355.94 g/mol
LogP18.38
Rot. Bonds15

About N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one

N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one (PubChem CID 158158009) has the molecular formula C115H159N49O6S and a molecular weight of 2355.94 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one
PubChem CID158158009
Molecular FormulaC115H159N49O6S
Molecular Weight2355.94 g/mol
Exact Mass2354.34
IUPAC NameN,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one
SMILESCC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2c1N=CCC2N.CC(C)n1cnc2c1N=CCC2N(C)C.CC(C)n1cnc2cnc(N)nc21.COc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c([nH]c(=S)n2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(-c3ccccc3)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H16N4O.C11H18N4.C10H14N4O.C10H15N3.C9H12N4OS.2C9H12N4O.C9H14N4.C9H13N3.C8H12N6.C8H11N5.C8H10N4O/c1-9(2)19-13(11-7-5-4-6-8-11)18-12-14(19)16-10(3)17-15(12)20;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-6(2)14-5-11-8-9(14)12-7(3)13-10(8)15-4;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-4(2)13-7-6(12-9(13)15)8(14)11-5(3)10-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)13-4-11-6-3-10-8(9)12-7(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h4-9H,1-3H3,(H,16,17,20);6-9H,5H2,1-4H3;5-6H,1-4H3;4-7,9H,3,11H2,1-2H3;4H,1-3H3,(H,12,15)(H,10,11,14);2*4-5H,1-3H3,(H,11,12,14);4-7H,3,10H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H4,9,10,12,13);3-5H,1-2H3,(H2,9,10,12);3-5H,1-2H3,(H,9,10,13)
InChIKeyFVXVSQQSOLUEKZ-UHFFFAOYSA-N
XLogP18.38
TPSA701.95 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002355.94
LogP ≤ 518.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one?
The IUPAC name of N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one (CID 158158009) is N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one?
The canonical SMILES for N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one is CC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c1N=CCC2.CC(C)n1cnc2c1N=CCC2N.CC(C)n1cnc2c1N=CCC2N(C)C.CC(C)n1cnc2cnc(N)nc21.COc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c([nH]c(=S)n2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(-c3ccccc3)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one?
The InChIKey is FVXVSQQSOLUEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C11H18N4.C10H14N4O.C10H15N3.C9H12N4OS.2C9H12N4O.C9H14N4.C9H13N3.C8H12N6.C8H11N5.C8H10N4O/c1-9(2)19-13(11-7-5-4-6-8-11)18-12-14(19)16-10(3)17-15(12)20;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-6(2)14-5-11-8-9(14)12-7(3)13-10(8)15-4;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-4(2)13-7-6(12-9(13)15)8(14)11-5(3)10-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)13-4-11-6-3-10-8(9)12-7(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h4-9H,1-3H3,(H,16,17,20);6-9H,5H2,1-4H3;5-6H,1-4H3;4-7,9H,3,11H2,1-2H3;4H,1-3H3,(H,12,15)(H,10,11,14);2*4-5H,1-3H3,(H,11,12,14);4-7H,3,10H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,1-2H3,(H4,9,10,12,13);3-5H,1-2H3,(H2,9,10,12);3-5H,1-2H3,(H,9,10,13).
What are the key properties of N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one?
N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one has a molecular weight of 2355.94 g/mol, XLogP of 18.38, 15 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;6-methoxy-2-methyl-9-propan-2-ylpurine;2-methyl-8-phenyl-9-propan-2-yl-1H-purin-6-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-9-propan-2-yl-8-sulfanylidene-1,7-dihydropurin-6-one;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;9-propan-2-ylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;9-propan-2-yl-1H-purin-6-one is sourced from PubChem (CID 158158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).