9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine

C135H189F2N61O5S — CID 157172877

About 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine

9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine (PubChem CID 157172877) has the molecular formula C135H189F2N61O5S and a molecular weight of 2816.48 g/mol. Its IUPAC name is 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine.

Molecular Properties

• Compound Name: 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine
• PubChem CID: 157172877
• Molecular Formula: C135H189F2N61O5S
• Molecular Weight: 2816.48 g/mol
• Exact Mass: 2814.61
• IUPAC Name: 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine
• SMILES: CC(C)(C)n1c(F)nc2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]ncc21.CC(C)(C)n1cnc2c(N)nc(F)nc21.CC(C)(C)n1cnc2c(N)nccc21.CC(C)(C)n1nnc2c(N)ccnc21.CC(C)(C)n1nnc2c(N)nccc21.CC(C)(C)n1nnc2cncc(N)c21.Cc1cc(=O)c2ncn(C(C)(C)C)c2[nH]1.Cc1cc2c(cn1)nnn2C(C)(C)C.Cc1cc2c(ncn2C(C)(C)C)c(=O)[nH]1.Cc1nc(=S)c2ncn(C(C)(C)C)c2[nH]1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)(C)C)c(=O)[nH]1
• InChI: InChI=1S/2C11H15N3O.C10H15N5.C10H14N4O.C10H14N4S.2C10H14N4.2C9H12FN5.C9H13N5O.3C9H13N5.C9H12N4O/c1-7-5-8(15)9-10(13-7)14(6-12-9)11(2,3)4;1-7-5-8-9(10(15)13-7)12-6-14(8)11(2,3)4;1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;2*1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;1-7-5-9-8(6-11-7)12-13-14(9)10(2,3)4;1-10(2,3)14-6-13-8-7(14)4-5-12-9(8)11;1-9(2,3)15-7-5(14-8(15)10)6(11)12-4-13-7;1-9(2,3)15-4-12-5-6(11)13-8(10)14-7(5)15;1-5-10-7-6(8(15)11-5)12-13-14(7)9(2,3)4;1-9(2,3)14-8-6(10)4-11-5-7(8)12-13-14;1-9(2,3)14-6-4-5-11-8(10)7(6)12-13-14;1-9(2,3)14-8-7(12-13-14)6(10)4-5-11-8;1-9(2,3)13-5-10-7-6(13)4-11-12-8(7)14/h2*5-6H,1-4H3,(H,13,15);5H,1-4H3,(H2,11,13,14);2*5H,1-4H3,(H,12,13,15);5-6H,1-4H3;4-6H,1-3H3,(H2,11,12);4H,1-3H3,(H2,11,12,13);4H,1-3H3,(H2,11,13,14);1-4H3,(H,10,11,15);4-5H,10H2,1-3H3;2*4-5H,1-3H3,(H2,10,11);4-5H,1-3H3,(H,12,14)
• InChIKey: ANRFAUSSJZIMJF-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 869.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 61
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.48
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine?

The IUPAC name of 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine (CID 157172877) is 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine.

What is the SMILES notation for 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine?

The canonical SMILES for 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine is CC(C)(C)n1c(F)nc2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]ncc21.CC(C)(C)n1cnc2c(N)nc(F)nc21.CC(C)(C)n1cnc2c(N)nccc21.CC(C)(C)n1nnc2c(N)ccnc21.CC(C)(C)n1nnc2c(N)nccc21.CC(C)(C)n1nnc2cncc(N)c21.Cc1cc(=O)c2ncn(C(C)(C)C)c2[nH]1.Cc1cc2c(cn1)nnn2C(C)(C)C.Cc1cc2c(ncn2C(C)(C)C)c(=O)[nH]1.Cc1nc(=S)c2ncn(C(C)(C)C)c2[nH]1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)(C)C)c(=O)[nH]1.

What is the InChIKey of 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine?

The InChIKey is ANRFAUSSJZIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15N3O.C10H15N5.C10H14N4O.C10H14N4S.2C10H14N4.2C9H12FN5.C9H13N5O.3C9H13N5.C9H12N4O/c1-7-5-8(15)9-10(13-7)14(6-12-9)11(2,3)4;1-7-5-8-9(10(15)13-7)12-6-14(8)11(2,3)4;1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;2*1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;1-7-5-9-8(6-11-7)12-13-14(9)10(2,3)4;1-10(2,3)14-6-13-8-7(14)4-5-12-9(8)11;1-9(2,3)15-7-5(14-8(15)10)6(11)12-4-13-7;1-9(2,3)15-4-12-5-6(11)13-8(10)14-7(5)15;1-5-10-7-6(8(15)11-5)12-13-14(7)9(2,3)4;1-9(2,3)14-8-6(10)4-11-5-7(8)12-13-14;1-9(2,3)14-6-4-5-11-8(10)7(6)12-13-14;1-9(2,3)14-8-7(12-13-14)6(10)4-5-11-8;1-9(2,3)13-5-10-7-6(13)4-11-12-8(7)14/h2*5-6H,1-4H3,(H,13,15);5H,1-4H3,(H2,11,13,14);2*5H,1-4H3,(H,12,13,15);5-6H,1-4H3;4-6H,1-3H3,(H2,11,12);4H,1-3H3,(H2,11,12,13);4H,1-3H3,(H2,11,13,14);1-4H3,(H,10,11,15);4-5H,10H2,1-3H3;2*4-5H,1-3H3,(H2,10,11);4-5H,1-3H3,(H,12,14).

What are the key properties of 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine?

9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine has a molecular weight of 2816.48 g/mol, XLogP of 19.99, 0 rotatable bonds, 13 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-2-fluoropurin-6-amine;9-tert-butyl-8-fluoropurin-6-amine;1-tert-butylimidazo[4,5-c]pyridin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methyl-4H-imidazo[4,5-b]pyridin-7-one;1-tert-butyl-6-methyl-5H-imidazo[4,5-c]pyridin-4-one;9-tert-butyl-2-methylpurin-6-amine;9-tert-butyl-2-methyl-3H-purine-6-thione;9-tert-butyl-2-methyl-1H-purin-6-one;1-tert-butyl-6-methyltriazolo[4,5-c]pyridine;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;1-tert-butyltriazolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 157172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).