2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine

C15H17F3N6 — CID 91648230

IUPAC2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H17F3N6/c1-10-9-20-11(2)13(21-10)23-5-7-24(8-6-23)14-19-4-3-12(22-14)15(16,17)18/h3-4,9H,5-8H2,1-2H3
InChIKeyRFWSLELHVKXOST-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.23
Rot. Bonds2

About 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine (PubChem CID 91648230) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
PubChem CID91648230
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H17F3N6/c1-10-9-20-11(2)13(21-10)23-5-7-24(8-6-23)14-19-4-3-12(22-14)15(16,17)18/h3-4,9H,5-8H2,1-2H3
InChIKeyRFWSLELHVKXOST-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine (CID 91648230) is 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
The InChIKey is RFWSLELHVKXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c1-10-9-20-11(2)13(21-10)23-5-7-24(8-6-23)14-19-4-3-12(22-14)15(16,17)18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine has a molecular weight of 338.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 91648230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).