2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane

C36H66N4 — CID 159848930

IUPAC2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
SMILESC.CC.CC.CC.Cc1cccnc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cc1ncncc1C(C)(C)C
InChIInChI=1S/2C10H15N.C9H14N2.3C2H6.CH4/c1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;3*1-2;/h2*5-7H,1-4H3;5-6H,1-4H3;3*1-2H3;1H4
InChIKeyNPRGGWSZIVEERD-UHFFFAOYSA-N
MW554.95 g/mol
LogP11.17
Rot. Bonds

About 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane

2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane (PubChem CID 159848930) has the molecular formula C36H66N4 and a molecular weight of 554.95 g/mol. Its IUPAC name is 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane.

Molecular Properties

Compound Name2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
PubChem CID159848930
Molecular FormulaC36H66N4
Molecular Weight554.95 g/mol
Exact Mass554.53
IUPAC Name2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
SMILESC.CC.CC.CC.Cc1cccnc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cc1ncncc1C(C)(C)C
InChIInChI=1S/2C10H15N.C9H14N2.3C2H6.CH4/c1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;3*1-2;/h2*5-7H,1-4H3;5-6H,1-4H3;3*1-2H3;1H4
InChIKeyNPRGGWSZIVEERD-UHFFFAOYSA-N
XLogP11.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.95
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-2-methylpyridine;ethane
CID 90980079
2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane
CID 161131655
bis(2,3-dimethylpyridine);ethane
CID 159594018
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
CID 86693091
2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane
CID 159907631
2-methyl-2-(3-methyl-2-pyridinyl)propanenitrile
CID 53485450

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane?
The IUPAC name of 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane (CID 159848930) is 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane.
What is the SMILES notation for 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane?
The canonical SMILES for 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane is C.CC.CC.CC.Cc1cccnc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cc1ncncc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane?
The InChIKey is NPRGGWSZIVEERD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N.C9H14N2.3C2H6.CH4/c1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;3*1-2;/h2*5-7H,1-4H3;5-6H,1-4H3;3*1-2H3;1H4.
What are the key properties of 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane?
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane has a molecular weight of 554.95 g/mol, XLogP of 11.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane is sourced from PubChem (CID 159848930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).