2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline

C18H17F3N6 — CID 155942142

IUPAC2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
SMILESCc1cc(C(F)(F)F)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H17F3N6/c1-12-10-15(18(19,20)21)25-17(23-12)27-8-6-26(7-9-27)16-11-22-13-4-2-3-5-14(13)24-16/h2-5,10-11H,6-9H2,1H3
InChIKeyRFHYXZSZDSHPOS-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.07
Rot. Bonds2

About 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline

2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline (PubChem CID 155942142) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
PubChem CID155942142
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
SMILESCc1cc(C(F)(F)F)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H17F3N6/c1-12-10-15(18(19,20)21)25-17(23-12)27-8-6-26(7-9-27)16-11-22-13-4-2-3-5-14(13)24-16/h2-5,10-11H,6-9H2,1H3
InChIKeyRFHYXZSZDSHPOS-UHFFFAOYSA-N
XLogP3.07
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 166601989
6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 91631599
2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline
CID 166605675
2-[4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 56895274
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204
4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 56906811
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
CID 171327302
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 70760220

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline (CID 155942142) is 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline is Cc1cc(C(F)(F)F)nc(N2CCN(c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline?
The InChIKey is RFHYXZSZDSHPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c1-12-10-15(18(19,20)21)25-17(23-12)27-8-6-26(7-9-27)16-11-22-13-4-2-3-5-14(13)24-16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline?
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline has a molecular weight of 374.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 155942142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).