2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine

C53H77F3N6O — CID 157060188

IUPAC2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C10H12F3N.3C10H15N/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3*5-7H,1-4H3
InChIKeyABFYGVDOCFSJDM-UHFFFAOYSA-N
MW871.23 g/mol
LogP13.68
Rot. Bonds1

About 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine

2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 157060188) has the molecular formula C53H77F3N6O and a molecular weight of 871.23 g/mol. Its IUPAC name is 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID157060188
Molecular FormulaC53H77F3N6O
Molecular Weight871.23 g/mol
Exact Mass870.61
IUPAC Name2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C10H12F3N.3C10H15N/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3*5-7H,1-4H3
InChIKeyABFYGVDOCFSJDM-UHFFFAOYSA-N
XLogP13.68
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.23
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

Buparlisib
CID 16654980
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381672
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334420
4-(difluoromethyl)-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334425
4-(Difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 121334444
Buparlisib Hydrochloride
CID 66577015
5-(1-Ethyl-propyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381605
5-(1,1-Dimethyl-allyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381828

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 157060188) is 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is ABFYGVDOCFSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C10H12F3N.3C10H15N/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3*5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?
2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 871.23 g/mol, XLogP of 13.68, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 157060188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).