2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine

C27H33F3N6 — CID 160979837

IUPAC2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(C)n1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1cncc(C)n1
InChIInChI=1S/C8H8F3N.C7H9N.2C6H8N2/c1-5-3-7(8(9,10)11)4-6(2)12-5;1-6-4-3-5-7(2)8-6;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5/h3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeySZJCKQLRNQEMBF-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.60
Rot. Bonds

About 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine

2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine (PubChem CID 160979837) has the molecular formula C27H33F3N6 and a molecular weight of 498.60 g/mol. Its IUPAC name is 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
PubChem CID160979837
Molecular FormulaC27H33F3N6
Molecular Weight498.60 g/mol
Exact Mass498.27
IUPAC Name2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(C)n1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1cncc(C)n1
InChIInChI=1S/C8H8F3N.C7H9N.2C6H8N2/c1-5-3-7(8(9,10)11)4-6(2)12-5;1-6-4-3-5-7(2)8-6;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5/h3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeySZJCKQLRNQEMBF-UHFFFAOYSA-N
XLogP6.60
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine (CID 160979837) is 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(C)n1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1cncc(C)n1.
What is the InChIKey of 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine?
The InChIKey is SZJCKQLRNQEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C7H9N.2C6H8N2/c1-5-3-7(8(9,10)11)4-6(2)12-5;1-6-4-3-5-7(2)8-6;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5/h3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine?
2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine has a molecular weight of 498.60 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 160979837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).