ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine

C14H27F3N2 — CID 176694715

IUPACethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine
SMILESCC.CC.CC.Cc1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H9F3N2.3C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;3*1-2/h1-3H3;3*1-2H3
InChIKeyLDIXLANSTPZMRR-UHFFFAOYSA-N
MW280.38 g/mol
LogP5.50
Rot. Bonds

About ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine

ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 176694715) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Nameethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine
PubChem CID176694715
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Nameethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine
SMILESCC.CC.CC.Cc1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H9F3N2.3C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;3*1-2/h1-3H3;3*1-2H3
InChIKeyLDIXLANSTPZMRR-UHFFFAOYSA-N
XLogP5.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.38
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine (CID 176694715) is ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine is CC.CC.CC.Cc1nc(C(F)(F)F)nc(C)c1C.
What is the InChIKey of ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is LDIXLANSTPZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.3C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;3*1-2/h1-3H3;3*1-2H3.
What are the key properties of ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine?
ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 280.38 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 176694715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).