2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile

C96H105F12N9O3 — CID 161213541

IUPAC2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
SMILESCC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(-c2ccccc2)cc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(F)(F)F)cc(C)c1C(C)C
InChIInChI=1S/C18H17N3.C16H18.C12H15F3.2C11H10F3NO.C10H11F3O.C10H15N.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14;1-7(2)11-8(3)5-10(6-9(11)4)12(13,14)15;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;4-12H,1-3H3;5-7H,1-4H3;2*3-5,7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;4-6H,1-2H3
InChIKeyUWODJEZQPSZHOZ-UHFFFAOYSA-N
MW1660.93 g/mol
LogP28.72
Rot. Bonds14

About 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile

2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile (PubChem CID 161213541) has the molecular formula C96H105F12N9O3 and a molecular weight of 1660.93 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
PubChem CID161213541
Molecular FormulaC96H105F12N9O3
Molecular Weight1660.93 g/mol
Exact Mass1659.81
IUPAC Name2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
SMILESCC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(-c2ccccc2)cc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(F)(F)F)cc(C)c1C(C)C
InChIInChI=1S/C18H17N3.C16H18.C12H15F3.2C11H10F3NO.C10H11F3O.C10H15N.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14;1-7(2)11-8(3)5-10(6-9(11)4)12(13,14)15;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;4-12H,1-3H3;5-7H,1-4H3;2*3-5,7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;4-6H,1-2H3
InChIKeyUWODJEZQPSZHOZ-UHFFFAOYSA-N
XLogP28.72
TPSA176.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.93
LogP ≤ 528.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile 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

6-Amino-3-[3-fluoro-2'-(pyrimidin-2-yloxy)-4'-(trifluoromethyl)biphenyl-4-yl]pyrazine-2-carbonitrile
CID 90313379
5-{5-[2-(Pyrimidin-2-yloxy)-4-(trifluoromethyl)phenyl]pyridin-2-yl}pyrimidin-2-amine
CID 90313604
5-(3-{4-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-phenyl)-pyrimidin-2-ylamine
CID 60209409
4-[1-(2,6-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 26355114
4-[1-(2,5-Dimethoxybenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45166129
2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile
CID 396058
4-[1-(2,3-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42421170
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 42424046
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42501824
4-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45205672
4-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 26359516
4-[1-(3-Fluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42346963

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile (CID 161213541) is 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile is CC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(-c2ccccc2)cc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(F)(F)F)cc(C)c1C(C)C.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The InChIKey is UWODJEZQPSZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C16H18.C12H15F3.2C11H10F3NO.C10H11F3O.C10H15N.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14;1-7(2)11-8(3)5-10(6-9(11)4)12(13,14)15;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)10-5-8(3)11-9(4)6-10;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;4-12H,1-3H3;5-7H,1-4H3;2*3-5,7H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;4-6H,1-2H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile has a molecular weight of 1660.93 g/mol, XLogP of 28.72, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-ylpyridine;1,3-dimethyl-2-propan-2-yl-5-(trifluoromethyl)benzene;2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1-methyl-3-phenyl-5-propan-2-ylbenzene;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 161213541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).