1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine

C113H185N21O4 — CID 158287426

About 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine

1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine (PubChem CID 158287426) has the molecular formula C113H185N21O4 and a molecular weight of 1901.87 g/mol. Its IUPAC name is 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine
• PubChem CID: 158287426
• Molecular Formula: C113H185N21O4
• Molecular Weight: 1901.87 g/mol
• Exact Mass: 1900.49
• IUPAC Name: 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine
• SMILES: CC(=O)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CCNCCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1
• InChI: InChI=1S/C20H34N4.C19H30N4O.C16H27N5O.C16H26N2.C15H24N2.C15H25NO.C12H19N3O/c1-15(2)23-9-11-24(12-10-23)19-14-16(20(3,4)5)13-18(22-19)21-17-7-6-8-17;1-14(24)22-8-10-23(11-9-22)18-13-15(19(2,3)4)12-17(21-18)20-16-6-5-7-16;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21-7-5-20(4)6-8-21;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9/h13-15,17H,6-12H2,1-5H3,(H,21,22);12-13,16H,5-11H2,1-4H3,(H,20,21);9,12H,5-8,10-11H2,1-4H3,(H,17,18,19);9-10,13H,6-8,11H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;7-10,16H,5-6,11-12H2,1-4H3;5,9H,6-7H2,1-4H3,(H,13,14,15)
• InChIKey: GKYHFOWLNXYLAD-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 242.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.87
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine?

The IUPAC name of 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine (CID 158287426) is 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine.

What is the SMILES notation for 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine?

The canonical SMILES for 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine is CC(=O)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CCNCCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1.

What is the InChIKey of 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine?

The InChIKey is GKYHFOWLNXYLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4.C19H30N4O.C16H27N5O.C16H26N2.C15H24N2.C15H25NO.C12H19N3O/c1-15(2)23-9-11-24(12-10-23)19-14-16(20(3,4)5)13-18(22-19)21-17-7-6-8-17;1-14(24)22-8-10-23(11-9-22)18-13-15(19(2,3)4)12-17(21-18)20-16-6-5-7-16;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21-7-5-20(4)6-8-21;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9/h13-15,17H,6-12H2,1-5H3,(H,21,22);12-13,16H,5-11H2,1-4H3,(H,20,21);9,12H,5-8,10-11H2,1-4H3,(H,17,18,19);9-10,13H,6-8,11H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;7-10,16H,5-6,11-12H2,1-4H3;5,9H,6-7H2,1-4H3,(H,13,14,15).

What are the key properties of 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine?

1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine has a molecular weight of 1901.87 g/mol, XLogP of 19.50, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-N-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 158287426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).