2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone

C123H192N18O9S — CID 158959268

IUPAC2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-12(20)19-9-6-14(7-10-19)18-15-11-13(5-8-17-15)16(2,3)4;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;5,8,11,14H,6-7,9-10H2,1-4H3,(H,17,18);5,7,10,12H,6,8-9,11H2,1-4H3;5-10H,1-4H3;8,10-11H,5-7,9H2,1-4H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3
InChIKeyJMKHTCLXPRGELG-UHFFFAOYSA-N
MW2099.07 g/mol
LogP20.33
Rot. Bonds20

About 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone

2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone (PubChem CID 158959268) has the molecular formula C123H192N18O9S and a molecular weight of 2099.07 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone
PubChem CID158959268
Molecular FormulaC123H192N18O9S
Molecular Weight2099.07 g/mol
Exact Mass2097.48
IUPAC Name2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-12(20)19-9-6-14(7-10-19)18-15-11-13(5-8-17-15)16(2,3)4;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;5,8,11,14H,6-7,9-10H2,1-4H3,(H,17,18);5,7,10,12H,6,8-9,11H2,1-4H3;5-10H,1-4H3;8,10-11H,5-7,9H2,1-4H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3
InChIKeyJMKHTCLXPRGELG-UHFFFAOYSA-N
XLogP20.33
TPSA278.53 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.07
LogP ≤ 520.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone (CID 158959268) is 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone is CC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The InChIKey is JMKHTCLXPRGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-12(20)19-9-6-14(7-10-19)18-15-11-13(5-8-17-15)16(2,3)4;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;5,8,11,14H,6-7,9-10H2,1-4H3,(H,17,18);5,7,10,12H,6,8-9,11H2,1-4H3;5-10H,1-4H3;8,10-11H,5-7,9H2,1-4H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone has a molecular weight of 2099.07 g/mol, XLogP of 20.33, 20 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxynaphthalene;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-6-piperidin-4-yloxypyrimidine;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 158959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).