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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine

C67H109N11O3 — CID 159020410

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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine (PubChem CID 159020410) has the molecular formula C67H109N11O3 and a molecular weight of 1116.68 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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine
• PubChem CID: 159020410
• Molecular Formula: C67H109N11O3
• Molecular Weight: 1116.68 g/mol
• Exact Mass: 1115.87
• 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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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.Cc1nc(CC2COC2)cc(C(C)(C)C)n1
• InChI: InChI=1S/C20H34N4.C19H30N4O.C15H25NO.C13H20N2O/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;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-9-14-11(5-10-7-16-8-10)6-12(15-9)13(2,3)4/h13-15,17H,6-12H2,1-5H3,(H,21,22);12-13,16H,5-11H2,1-4H3,(H,20,21);7-10,16H,5-6,11-12H2,1-4H3;6,10H,5,7-8H2,1-4H3
• InChIKey: JTPSJNRZLOZPBW-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 136.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.68
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine (CID 159020410) 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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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.Cc1nc(CC2COC2)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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine?

The InChIKey is JTPSJNRZLOZPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4.C19H30N4O.C15H25NO.C13H20N2O/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;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-9-14-11(5-10-7-16-8-10)6-12(15-9)13(2,3)4/h13-15,17H,6-12H2,1-5H3,(H,21,22);12-13,16H,5-11H2,1-4H3,(H,20,21);7-10,16H,5-6,11-12H2,1-4H3;6,10H,5,7-8H2,1-4H3.

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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine has a molecular weight of 1116.68 g/mol, XLogP of 12.52, 15 rotatable bonds, 3 hydrogen bond donors, and 13 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-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 159020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).