2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

C123H194F3N27O8 — CID 158692033

About 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 158692033) has the molecular formula C123H194F3N27O8 and a molecular weight of 2236.08 g/mol. Its IUPAC name is 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
• PubChem CID: 158692033
• Molecular Formula: C123H194F3N27O8
• Molecular Weight: 2236.08 g/mol
• Exact Mass: 2234.56
• IUPAC Name: 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
• SMILES: CC(C)(C)c1cc(NC2CCN(C(=O)C3CC3)CC2)ncn1.CC(C)(C)c1cc(NC2CCN(C(=O)C3CCC3)CC2)ncn1.CC(C)(C)c1cc(NC2COC2)nc(N2CCCCC2)n1.CC(C)(C)c1ccnc(OCCNCC(F)(F)F)c1.CC(C)C(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1
• InChI: InChI=1S/C18H28N4O.C17H26N4O.2C16H26N4O.2C15H24N4O.C13H19F3N2O.C13H21NO/c1-18(2,3)15-11-16(20-12-19-15)21-14-7-9-22(10-8-14)17(23)13-5-4-6-13;1-17(2,3)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)12-4-5-12;1-16(2,3)13-9-14(17-12-10-21-11-12)19-15(18-13)20-7-5-4-6-8-20;1-11(2)6-15(21)20-8-12(9-20)19-14-7-13(16(3,4)5)17-10-18-14;1-10(2)14(20)19-7-11(8-19)18-13-6-12(15(3,4)5)16-9-17-13;1-5-6-14(20)19-8-11(9-19)18-13-7-12(15(2,3)4)16-10-17-13;1-12(2,3)10-4-5-18-11(8-10)19-7-6-17-9-13(14,15)16;1-5-6-9-15-12-10-11(7-8-14-12)13(2,3)4/h11-14H,4-10H2,1-3H3,(H,19,20,21);10-13H,4-9H2,1-3H3,(H,18,19,20);9,12H,4-8,10-11H2,1-3H3,(H,17,18,19);7,10-12H,6,8-9H2,1-5H3,(H,17,18,19);6,9-11H,7-8H2,1-5H3,(H,16,17,18);7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18);4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3
• InChIKey: IGLXSIABPNJYEQ-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 397.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2236.08
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?

The IUPAC name of 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (CID 158692033) is 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.

What is the SMILES notation for 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?

The canonical SMILES for 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C)c1cc(NC2CCN(C(=O)C3CC3)CC2)ncn1.CC(C)(C)c1cc(NC2CCN(C(=O)C3CCC3)CC2)ncn1.CC(C)(C)c1cc(NC2COC2)nc(N2CCCCC2)n1.CC(C)(C)c1ccnc(OCCNCC(F)(F)F)c1.CC(C)C(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1.

What is the InChIKey of 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?

The InChIKey is IGLXSIABPNJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C17H26N4O.2C16H26N4O.2C15H24N4O.C13H19F3N2O.C13H21NO/c1-18(2,3)15-11-16(20-12-19-15)21-14-7-9-22(10-8-14)17(23)13-5-4-6-13;1-17(2,3)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)12-4-5-12;1-16(2,3)13-9-14(17-12-10-21-11-12)19-15(18-13)20-7-5-4-6-8-20;1-11(2)6-15(21)20-8-12(9-20)19-14-7-13(16(3,4)5)17-10-18-14;1-10(2)14(20)19-7-11(8-19)18-13-6-12(15(3,4)5)16-9-17-13;1-5-6-14(20)19-8-11(9-19)18-13-7-12(15(2,3)4)16-10-17-13;1-12(2,3)10-4-5-18-11(8-10)19-7-6-17-9-13(14,15)16;1-5-6-9-15-12-10-11(7-8-14-12)13(2,3)4/h11-14H,4-10H2,1-3H3,(H,19,20,21);10-13H,4-9H2,1-3H3,(H,18,19,20);9,12H,4-8,10-11H2,1-3H3,(H,17,18,19);7,10-12H,6,8-9H2,1-5H3,(H,17,18,19);6,9-11H,7-8H2,1-5H3,(H,16,17,18);7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18);4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3.

What are the key properties of 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?

2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 2236.08 g/mol, XLogP of 21.30, 29 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-4-tert-butylpyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 158692033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).