4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine

C11H15F3N4 — CID 172895095

IUPAC4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCNCC2C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-7-5-8(2)17-10(16-7)18-4-3-15-6-9(18)11(12,13)14/h5,9,15H,3-4,6H2,1-2H3
InChIKeyHHTAYBWJDUJCGR-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.43
Rot. Bonds1

About 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine

4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine (PubChem CID 172895095) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
PubChem CID172895095
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCNCC2C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-7-5-8(2)17-10(16-7)18-4-3-15-6-9(18)11(12,13)14/h5,9,15H,3-4,6H2,1-2H3
InChIKeyHHTAYBWJDUJCGR-UHFFFAOYSA-N
XLogP1.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine (CID 172895095) is 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCNCC2C(F)(F)F)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine?
The InChIKey is HHTAYBWJDUJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-5-8(2)17-10(16-7)18-4-3-15-6-9(18)11(12,13)14/h5,9,15H,3-4,6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine?
4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine has a molecular weight of 260.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 172895095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).