4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine

C10H10F6N2 — CID 13166297

IUPAC4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F6N2/c1-8(2,3)5-4-6(9(11,12)13)18-7(17-5)10(14,15)16/h4H,1-3H3
InChIKeyYBKJOMQZGLHBCD-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.81
Rot. Bonds

About 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine

4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine (PubChem CID 13166297) has the molecular formula C10H10F6N2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
PubChem CID13166297
Molecular FormulaC10H10F6N2
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F6N2/c1-8(2,3)5-4-6(9(11,12)13)18-7(17-5)10(14,15)16/h4H,1-3H3
InChIKeyYBKJOMQZGLHBCD-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine (CID 13166297) is 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine is CC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine?
The InChIKey is YBKJOMQZGLHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2/c1-8(2,3)5-4-6(9(11,12)13)18-7(17-5)10(14,15)16/h4H,1-3H3.
What are the key properties of 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine?
4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine has a molecular weight of 272.19 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13166297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).