5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium

C29H45N4Y- — CID 159075724

IUPAC5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium
SMILESC.CC(C)(C)c1[c-]nccc1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.[Y]
InChIInChI=1S/C10H15N.C9H14N2.C9H12N.CH4.Y/c1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;;/h5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1H4;/q;;-1;;
InChIKeyDMLXXLGMLRWNBD-UHFFFAOYSA-N
MW538.61 g/mol
LogP7.58
Rot. Bonds

About 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium

5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium (PubChem CID 159075724) has the molecular formula C29H45N4Y- and a molecular weight of 538.61 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium.

Molecular Properties

Compound Name5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium
PubChem CID159075724
Molecular FormulaC29H45N4Y-
Molecular Weight538.61 g/mol
Exact Mass538.27
IUPAC Name5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium
SMILESC.CC(C)(C)c1[c-]nccc1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.[Y]
InChIInChI=1S/C10H15N.C9H14N2.C9H12N.CH4.Y/c1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;;/h5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1H4;/q;;-1;;
InChIKeyDMLXXLGMLRWNBD-UHFFFAOYSA-N
XLogP7.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium?
The IUPAC name of 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium (CID 159075724) is 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium.
What is the SMILES notation for 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium?
The canonical SMILES for 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium is C.CC(C)(C)c1[c-]nccc1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.[Y].
What is the InChIKey of 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium?
The InChIKey is DMLXXLGMLRWNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H14N2.C9H12N.CH4.Y/c1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;;/h5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;1H4;/q;;-1;;.
What are the key properties of 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium?
5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium has a molecular weight of 538.61 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium is sourced from PubChem (CID 159075724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).