9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine

C221H382N58O4S4 — CID 158115413

About 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine

9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine (PubChem CID 158115413) has the molecular formula C221H382N58O4S4 and a molecular weight of 4044.16 g/mol. Its IUPAC name is 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine
• PubChem CID: 158115413
• Molecular Formula: C221H382N58O4S4
• Molecular Weight: 4044.16 g/mol
• Exact Mass: 4041.04
• IUPAC Name: 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)n1ccc2cncnc21.CC(C)(C)n1ccc2nccnc21.CC(C)(C)n1cnc2cncnc21.CC(C)(C)n1ncc2cncnc21.CC(C)(C)n1nnc2cncnc21.CC(C)C.Cn1ccc2cncnc21.Cn1ccc2nccnc21.Cn1cnc2cncnc21.Cn1ncc2cncnc21.Cn1nnc2cncnc21.c1cnc2occc2n1.c1cnc2sccc2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2cnoc2n1.c1ncc2cnsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1
• InChI: InChI=1S/2C10H13N3.2C9H12N4.C8H11N5.2C7H7N3.2C6H6N4.2C6H4N2O.2C6H4N2S.C5H5N5.2C5H3N3O.2C5H3N3S.12C5H12.C4H10.18C2H6/c1-10(2,3)13-7-4-8-9(13)12-6-5-11-8;1-10(2,3)13-5-4-8-6-11-7-12-9(8)13;1-9(2,3)13-6-12-7-4-10-5-11-8(7)13;1-9(2,3)13-8-7(5-12-13)4-10-6-11-8;1-8(2,3)13-7-6(11-12-13)4-9-5-10-7;1-10-5-2-6-7(10)9-4-3-8-6;1-10-3-2-6-4-8-5-9-7(6)10;1-10-4-9-5-2-7-3-8-6(5)10;1-10-6-5(3-9-10)2-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-5(1)3-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-5(1)3-7-4-8-6;1-10-5-4(8-9-10)2-6-3-7-5;1-4-5(7-2-6-1)9-3-8-4;1-4-2-8-9-5(4)7-3-6-1;1-4-5(7-2-6-1)9-3-8-4;1-4-2-8-9-5(4)7-3-6-1;12*1-5(2,3)4;1-4(2)3;18*1-2/h2*4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*2-5H,1H3;2*2-4H,1H3;4*1-4H;2-3H,1H3;4*1-3H;12*1-4H3;4H,1-3H3;18*1-2H3
• InChIKey: FQYBORZWACFHGA-UHFFFAOYSA-N
• XLogP: 64.93
• TPSA: 720.58 Ų
• H-Bond Acceptors: 66
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4044.16
LogP ≤ 5	64.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine?

The IUPAC name of 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine (CID 158115413) is 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine.

What is the SMILES notation for 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine?

The canonical SMILES for 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)n1ccc2cncnc21.CC(C)(C)n1ccc2nccnc21.CC(C)(C)n1cnc2cncnc21.CC(C)(C)n1ncc2cncnc21.CC(C)(C)n1nnc2cncnc21.CC(C)C.Cn1ccc2cncnc21.Cn1ccc2nccnc21.Cn1cnc2cncnc21.Cn1ncc2cncnc21.Cn1nnc2cncnc21.c1cnc2occc2n1.c1cnc2sccc2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2cnoc2n1.c1ncc2cnsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.

What is the InChIKey of 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine?

The InChIKey is FQYBORZWACFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N3.2C9H12N4.C8H11N5.2C7H7N3.2C6H6N4.2C6H4N2O.2C6H4N2S.C5H5N5.2C5H3N3O.2C5H3N3S.12C5H12.C4H10.18C2H6/c1-10(2,3)13-7-4-8-9(13)12-6-5-11-8;1-10(2,3)13-5-4-8-6-11-7-12-9(8)13;1-9(2,3)13-6-12-7-4-10-5-11-8(7)13;1-9(2,3)13-8-7(5-12-13)4-10-6-11-8;1-8(2,3)13-7-6(11-12-13)4-9-5-10-7;1-10-5-2-6-7(10)9-4-3-8-6;1-10-3-2-6-4-8-5-9-7(6)10;1-10-4-9-5-2-7-3-8-6(5)10;1-10-6-5(3-9-10)2-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-5(1)3-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-5(1)3-7-4-8-6;1-10-5-4(8-9-10)2-6-3-7-5;1-4-5(7-2-6-1)9-3-8-4;1-4-2-8-9-5(4)7-3-6-1;1-4-5(7-2-6-1)9-3-8-4;1-4-2-8-9-5(4)7-3-6-1;12*1-5(2,3)4;1-4(2)3;18*1-2/h2*4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*2-5H,1H3;2*2-4H,1H3;4*1-4H;2-3H,1H3;4*1-3H;12*1-4H3;4H,1-3H3;18*1-2H3.

What are the key properties of 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine?

9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine has a molecular weight of 4044.16 g/mol, XLogP of 64.93, 0 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butylpurine;1-tert-butylpyrazolo[3,4-d]pyrimidine;5-tert-butylpyrrolo[2,3-b]pyrazine;7-tert-butylpyrrolo[2,3-d]pyrimidine;3-tert-butyltriazolo[4,5-d]pyrimidine;dodecakis(2,2-dimethylpropane);ethane;furo[2,3-b]pyrazine;furo[2,3-d]pyrimidine;2-methylpropane;9-methylpurine;1-methylpyrazolo[3,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;7-methylpyrrolo[2,3-d]pyrimidine;3-methyltriazolo[4,5-d]pyrimidine;[1,2]oxazolo[5,4-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,2]thiazolo[5,4-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158115413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).