2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)

C122H179Cl4N61O3 — CID 158744330

About 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)

2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine) (PubChem CID 158744330) has the molecular formula C122H179Cl4N61O3 and a molecular weight of 2690.01 g/mol. Its IUPAC name is 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine).

Molecular Properties

• Compound Name: 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)
• PubChem CID: 158744330
• Molecular Formula: C122H179Cl4N61O3
• Molecular Weight: 2690.01 g/mol
• Exact Mass: 2686.45
• IUPAC Name: 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)
• SMILES: CC(C)(C)n1cnc(N)nc1=O.CC(C)(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)(C)n1cnc2c(N)ccnc21.CC(C)(C)n1cnc2c(N)nc(Cl)nc21.CC(C)(C)n1ncc(N)nc1=O.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(NN)c2ncn(C(C)(C)C)c2n1.Cc1nc(NN)c2ncn(C(C)(C)C)c2n1
• InChI: InChI=1S/3C10H13ClN4.2C10H16N6.3C10H15N5.C10H14N4.C9H12ClN5.C9H13N5O.2C7H12N4O/c3*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;2*1-6-13-8(15-11)7-9(14-6)16(5-12-7)10(2,3)4;3*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;1-10(2,3)14-6-13-8-7(11)4-5-12-9(8)14;1-9(2,3)15-4-12-5-6(11)13-8(10)14-7(5)15;1-9(2,3)14-4-11-5-6(14)12-8(10)13-7(5)15;1-7(2,3)11-4-9-5(8)10-6(11)12;1-7(2,3)11-6(12)10-5(8)4-9-11/h3*5H,1-4H3;2*5H,11H2,1-4H3,(H,13,14,15);3*5H,1-4H3,(H2,11,13,14);4-6H,1-3H3,(H2,11,12);4H,1-3H3,(H2,11,13,14);4H,1-3H3,(H3,10,12,13,15);2*4H,1-3H3,(H2,8,10,12)
• InChIKey: IMRQKOMEBCXBAE-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 866.50 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 63
• Rotatable Bonds: 2
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2690.01
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)?

The IUPAC name of 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine) (CID 158744330) is 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine).

What is the SMILES notation for 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)?

The canonical SMILES for 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine) is CC(C)(C)n1cnc(N)nc1=O.CC(C)(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)(C)n1cnc2c(N)ccnc21.CC(C)(C)n1cnc2c(N)nc(Cl)nc21.CC(C)(C)n1ncc(N)nc1=O.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(Cl)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(N)c2ncn(C(C)(C)C)c2n1.Cc1nc(NN)c2ncn(C(C)(C)C)c2n1.Cc1nc(NN)c2ncn(C(C)(C)C)c2n1.

What is the InChIKey of 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)?

The InChIKey is IMRQKOMEBCXBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13ClN4.2C10H16N6.3C10H15N5.C10H14N4.C9H12ClN5.C9H13N5O.2C7H12N4O/c3*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;2*1-6-13-8(15-11)7-9(14-6)16(5-12-7)10(2,3)4;3*1-6-13-8(11)7-9(14-6)15(5-12-7)10(2,3)4;1-10(2,3)14-6-13-8-7(11)4-5-12-9(8)14;1-9(2,3)15-4-12-5-6(11)13-8(10)14-7(5)15;1-9(2,3)14-4-11-5-6(14)12-8(10)13-7(5)15;1-7(2,3)11-4-9-5(8)10-6(11)12;1-7(2,3)11-6(12)10-5(8)4-9-11/h3*5H,1-4H3;2*5H,11H2,1-4H3,(H,13,14,15);3*5H,1-4H3,(H2,11,13,14);4-6H,1-3H3,(H2,11,12);4H,1-3H3,(H2,11,13,14);4H,1-3H3,(H3,10,12,13,15);2*4H,1-3H3,(H2,8,10,12).

What are the key properties of 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine)?

2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine) has a molecular weight of 2690.01 g/mol, XLogP of 18.39, 2 rotatable bonds, 13 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-tert-butyl-1H-purin-6-one;4-amino-1-tert-butyl-1,3,5-triazin-2-one;5-amino-2-tert-butyl-1,2,4-triazin-3-one;tris(9-tert-butyl-6-chloro-2-methylpurine);9-tert-butyl-2-chloropurin-6-amine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;tris(9-tert-butyl-2-methylpurin-6-amine);bis((9-tert-butyl-2-methylpurin-6-yl)hydrazine) is sourced from PubChem (CID 158744330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).