2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol

C111H157N13O6 — CID 160848570

IUPAC2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N3CCCC3)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cncc3ccccc23)c1O.CN(C)c1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.COc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1
InChIInChI=1S/C24H35N3O.C24H30N2O.C22H33N3O.C21H30N2O2.C20H29N3O/c1-23(2,3)19-13-18(16-26-24(4,5)6)22(28)20(14-19)17-9-10-21(25-15-17)27-11-7-8-12-27;1-23(2,3)18-11-17(14-26-24(4,5)6)22(27)20(12-18)21-15-25-13-16-9-7-8-10-19(16)21;1-21(2,3)17-11-16(14-24-22(4,5)6)20(26)18(12-17)15-9-10-19(23-13-15)25(7)8;1-20(2,3)16-10-15(13-23-21(4,5)6)19(24)17(11-16)14-8-9-18(25-7)22-12-14;1-19(2,3)15-9-14(12-23-20(4,5)6)18(24)16(10-15)13-7-8-17(21)22-11-13/h9-10,13-15,26,28H,7-8,11-12,16H2,1-6H3;7-13,15,26-27H,14H2,1-6H3;9-13,24,26H,14H2,1-8H3;8-12,23-24H,13H2,1-7H3;7-11,23-24H,12H2,1-6H3,(H2,21,22)
InChIKeySIYQROWBHBRKSP-UHFFFAOYSA-N
MW1769.56 g/mol
LogP24.61
Rot. Bonds18

About 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol

2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol (PubChem CID 160848570) has the molecular formula C111H157N13O6 and a molecular weight of 1769.56 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol
PubChem CID160848570
Molecular FormulaC111H157N13O6
Molecular Weight1769.56 g/mol
Exact Mass1768.24
IUPAC Name2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol
SMILESCC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N3CCCC3)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cncc3ccccc23)c1O.CN(C)c1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.COc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1
InChIInChI=1S/C24H35N3O.C24H30N2O.C22H33N3O.C21H30N2O2.C20H29N3O/c1-23(2,3)19-13-18(16-26-24(4,5)6)22(28)20(14-19)17-9-10-21(25-15-17)27-11-7-8-12-27;1-23(2,3)18-11-17(14-26-24(4,5)6)22(27)20(12-18)21-15-25-13-16-9-7-8-10-19(16)21;1-21(2,3)17-11-16(14-24-22(4,5)6)20(26)18(12-17)15-9-10-19(23-13-15)25(7)8;1-20(2,3)16-10-15(13-23-21(4,5)6)19(24)17(11-16)14-8-9-18(25-7)22-12-14;1-19(2,3)15-9-14(12-23-20(4,5)6)18(24)16(10-15)13-7-8-17(21)22-11-13/h9-10,13-15,26,28H,7-8,11-12,16H2,1-6H3;7-13,15,26-27H,14H2,1-6H3;9-13,24,26H,14H2,1-8H3;8-12,23-24H,13H2,1-7H3;7-11,23-24H,12H2,1-6H3,(H2,21,22)
InChIKeySIYQROWBHBRKSP-UHFFFAOYSA-N
XLogP24.61
TPSA267.48 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.56
LogP ≤ 524.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-chloro-3-pyridinyl)phenol;hydrochloride
CID 86718568
methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
CID 167778234
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
5-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-amine
CID 79728874
5-(6-methoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11171929
N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 161244283
6-(6-methoxy-3-pyridinyl)-N,N-dimethylpyrazin-2-amine
CID 56720090
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
2-[[2-(6-methoxy-3-pyridinyl)phenyl]methyl]-6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135995124
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111216238

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol?
The IUPAC name of 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol (CID 160848570) is 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol is CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(N3CCCC3)nc2)c1O.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2cncc3ccccc23)c1O.CN(C)c1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.COc1ccc(-c2cc(C(C)(C)C)cc(CNC(C)(C)C)c2O)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol?
The InChIKey is SIYQROWBHBRKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O.C24H30N2O.C22H33N3O.C21H30N2O2.C20H29N3O/c1-23(2,3)19-13-18(16-26-24(4,5)6)22(28)20(14-19)17-9-10-21(25-15-17)27-11-7-8-12-27;1-23(2,3)18-11-17(14-26-24(4,5)6)22(27)20(12-18)21-15-25-13-16-9-7-8-10-19(16)21;1-21(2,3)17-11-16(14-24-22(4,5)6)20(26)18(12-17)15-9-10-19(23-13-15)25(7)8;1-20(2,3)16-10-15(13-23-21(4,5)6)19(24)17(11-16)14-8-9-18(25-7)22-12-14;1-19(2,3)15-9-14(12-23-20(4,5)6)18(24)16(10-15)13-7-8-17(21)22-11-13/h9-10,13-15,26,28H,7-8,11-12,16H2,1-6H3;7-13,15,26-27H,14H2,1-6H3;9-13,24,26H,14H2,1-8H3;8-12,23-24H,13H2,1-7H3;7-11,23-24H,12H2,1-6H3,(H2,21,22).
What are the key properties of 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol?
2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol has a molecular weight of 1769.56 g/mol, XLogP of 24.61, 18 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-4-tert-butyl-6-[(tert-butylamino)methyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(dimethylamino)-3-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-isoquinolin-4-ylphenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methoxy-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-pyrrolidin-1-yl-3-pyridinyl)phenol is sourced from PubChem (CID 160848570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).