9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine

C19H21F3N6 — CID 163344774

IUPAC9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
SMILESCCn1cnc2c(N3CCN(Cc4ccccc4C(F)(F)F)CC3)ncnc21
InChIInChI=1S/C19H21F3N6/c1-2-27-13-25-16-17(27)23-12-24-18(16)28-9-7-26(8-10-28)11-14-5-3-4-6-15(14)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3
InChIKeyADQVXFDEXRMMTJ-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.19
Rot. Bonds4

About 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine

9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine (PubChem CID 163344774) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine.

Molecular Properties

Compound Name9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
PubChem CID163344774
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
SMILESCCn1cnc2c(N3CCN(Cc4ccccc4C(F)(F)F)CC3)ncnc21
InChIInChI=1S/C19H21F3N6/c1-2-27-13-25-16-17(27)23-12-24-18(16)28-9-7-26(8-10-28)11-14-5-3-4-6-15(14)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3
InChIKeyADQVXFDEXRMMTJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine 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

9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
9-ethyl-6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]purine
CID 171997251
6-(3-bromophenyl)-9-[[2-(trifluoromethyl)phenyl]methyl]purine
CID 177498781
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 155981223
4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483787
6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
CID 126818343
4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
7-methyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171701165

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine?
The IUPAC name of 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine (CID 163344774) is 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine.
What is the SMILES notation for 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine?
The canonical SMILES for 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine is CCn1cnc2c(N3CCN(Cc4ccccc4C(F)(F)F)CC3)ncnc21.
What is the InChIKey of 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine?
The InChIKey is ADQVXFDEXRMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-2-27-13-25-16-17(27)23-12-24-18(16)28-9-7-26(8-10-28)11-14-5-3-4-6-15(14)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine?
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine has a molecular weight of 390.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine is sourced from PubChem (CID 163344774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).