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

C12H21F3N2 — CID 169125038

IUPACethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine
SMILESCC.CC.Cc1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H9F3N2.2C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;2*1-2/h1-3H3;2*1-2H3
InChIKeyDNJTWJKXGKJQHE-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.47
Rot. Bonds

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

ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 169125038) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 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 CID169125038
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Nameethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine
SMILESCC.CC.Cc1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C8H9F3N2.2C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;2*1-2/h1-3H3;2*1-2H3
InChIKeyDNJTWJKXGKJQHE-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.47
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 169125038) 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.Cc1nc(C(F)(F)F)nc(C)c1C.
What is the InChIKey of ethane;4,5,6-trimethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is DNJTWJKXGKJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.2C2H6/c1-4-5(2)12-7(8(9,10)11)13-6(4)3;2*1-2/h1-3H3;2*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 250.31 g/mol, XLogP of 4.47, 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 169125038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).