2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine

C150H230N20O11S — CID 160626282

IUPAC2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
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.CC(C)(C)c1cncc(CC2CCNC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C14H22N2.C13H21N3O.C13H20N2O2.C13H16O2/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;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;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;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12/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;7,9-11,15H,4-6,8H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;5-8H,1-4H3
InChIKeyRHIMZAIZSQTHJT-UHFFFAOYSA-N
MW2521.69 g/mol
LogP26.60
Rot. Bonds23

About 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine

2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine (PubChem CID 160626282) has the molecular formula C150H230N20O11S and a molecular weight of 2521.69 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
PubChem CID160626282
Molecular FormulaC150H230N20O11S
Molecular Weight2521.69 g/mol
Exact Mass2519.78
IUPAC Name2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
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.CC(C)(C)c1cncc(CC2CCNC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C14H22N2.C13H21N3O.C13H20N2O2.C13H16O2/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;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;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;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12/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;7,9-11,15H,4-6,8H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;5-8H,1-4H3
InChIKeyRHIMZAIZSQTHJT-UHFFFAOYSA-N
XLogP26.60
TPSA325.82 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.69
LogP ≤ 526.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The IUPAC name of 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine (CID 160626282) is 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine 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.CC(C)(C)c1cncc(CC2CCNC2)c1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1.
What is the InChIKey of 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The InChIKey is RHIMZAIZSQTHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C17H28N2O.C16H25N3O.C15H24N2.C15H18O.C14H23N3O2S.C14H22N2.C13H21N3O.C13H20N2O2.C13H16O2/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;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;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;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12/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;7,9-11,15H,4-6,8H2,1-3H3;8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;5-8H,1-4H3.
What are the key properties of 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine has a molecular weight of 2521.69 g/mol, XLogP of 26.60, 23 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxy-1-benzofuran;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;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine is sourced from PubChem (CID 160626282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).