2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine

C95H156F3N5O2 — CID 161161422

IUPAC2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine
SMILESCC(C)COc1cc(C(C)C)cc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO.C17H28.C16H27NO.C16H27N.C15H26N2.C14H19F3/c1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)10-18-15-9-13(12(3)4)8-14(17-15)16(5,6)7;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17/h9-10,12H,11H2,1-8H3;9-12H,1-8H3;8-9,11-12H,10H2,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-9H,1-5H3
InChIKeyUPYZDOODYVVVNZ-UHFFFAOYSA-N
MW1457.32 g/mol
LogP28.99
Rot. Bonds11

About 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine

2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine (PubChem CID 161161422) has the molecular formula C95H156F3N5O2 and a molecular weight of 1457.32 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine
PubChem CID161161422
Molecular FormulaC95H156F3N5O2
Molecular Weight1457.32 g/mol
Exact Mass1456.22
IUPAC Name2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine
SMILESCC(C)COc1cc(C(C)C)cc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO.C17H28.C16H27NO.C16H27N.C15H26N2.C14H19F3/c1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)10-18-15-9-13(12(3)4)8-14(17-15)16(5,6)7;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17/h9-10,12H,11H2,1-8H3;9-12H,1-8H3;8-9,11-12H,10H2,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-9H,1-5H3
InChIKeyUPYZDOODYVVVNZ-UHFFFAOYSA-N
XLogP28.99
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.32
LogP ≤ 528.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyrimidine
CID 118073512
2-Methoxy-5-[2-[[6-[6-(3,3,3-trifluoropropoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyrimidine
CID 118088049
2-Methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyrimidine
CID 118088326
2-Ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 122470161
5-[2-Methyl-6-(trifluoromethyl)pyridin-4-yl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine
CID 147213939
2-[6-[[2-Amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]-2-pyridinyl]-2-ethylbutanenitrile
CID 153393162
5-[2-(Difluoromethyl)-6-methylpyridin-4-yl]-4-(4-fluorophenyl)-6-phenoxypyrimidin-2-amine
CID 153393171
5-[2-Methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine
CID 153393173
5-[2-(Difluoromethyl)-6-methylpyridin-4-yl]-4-(4-fluorophenyl)-6-(oxan-4-yloxy)pyrimidin-2-amine
CID 153393186
4-[(6-Aminopyridin-2-yl)methoxy]-5-[2-(difluoromethyl)-6-methylpyridin-4-yl]-6-(4-fluorophenyl)pyrimidin-2-amine
CID 153393199
5-[2-(Difluoromethyl)-6-methyl-4-pyridinyl]-4-ethoxy-6-(4-fluorophenyl)pyrimidin-2-amine
CID 153393203
5-[2-(Difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-(3-methoxypropoxy)pyrimidin-2-amine
CID 153393210

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine?
The IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine (CID 161161422) is 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine is CC(C)COc1cc(C(C)C)cc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine?
The InChIKey is UPYZDOODYVVVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.C17H28.C16H27NO.C16H27N.C15H26N2.C14H19F3/c1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)10-18-15-9-13(12(3)4)8-14(17-15)16(5,6)7;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17/h9-10,12H,11H2,1-8H3;9-12H,1-8H3;8-9,11-12H,10H2,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-9H,1-5H3.
What are the key properties of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine?
2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine has a molecular weight of 1457.32 g/mol, XLogP of 28.99, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-(2-methylpropoxy)-4-propan-2-ylpyridine;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 161161422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).