2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine

C15H23F3N4O — CID 86725459

IUPAC2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine
SMILESCC(C)(C)c1nc(CCOC(F)(F)F)cc(N2CCNCC2)n1
InChIInChI=1S/C15H23F3N4O/c1-14(2,3)13-20-11(4-9-23-15(16,17)18)10-12(21-13)22-7-5-19-6-8-22/h10,19H,4-9H2,1-3H3
InChIKeyKLAIOAKWUQDOQR-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.26
Rot. Bonds4

About 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine

2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine (PubChem CID 86725459) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine
PubChem CID86725459
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine
SMILESCC(C)(C)c1nc(CCOC(F)(F)F)cc(N2CCNCC2)n1
InChIInChI=1S/C15H23F3N4O/c1-14(2,3)13-20-11(4-9-23-15(16,17)18)10-12(21-13)22-7-5-19-6-8-22/h10,19H,4-9H2,1-3H3
InChIKeyKLAIOAKWUQDOQR-UHFFFAOYSA-N
XLogP2.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine (CID 86725459) is 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine is CC(C)(C)c1nc(CCOC(F)(F)F)cc(N2CCNCC2)n1.
What is the InChIKey of 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine?
The InChIKey is KLAIOAKWUQDOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-14(2,3)13-20-11(4-9-23-15(16,17)18)10-12(21-13)22-7-5-19-6-8-22/h10,19H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine?
2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine has a molecular weight of 332.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-piperazin-1-yl-6-[2-(trifluoromethoxy)ethyl]pyrimidine is sourced from PubChem (CID 86725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).