6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine

C21H19F3N6 — CID 155555496

IUPAC6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)c1cccc(CNc2nc(NCCc3ccccc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)16-8-4-7-15(11-16)12-26-20-29-18(17-19(30-20)28-13-27-17)25-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H3,25,26,27,28,29,30)
InChIKeySOIYUERELUJLNO-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.64
Rot. Bonds7

About 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine

6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine (PubChem CID 155555496) has the molecular formula C21H19F3N6 and a molecular weight of 412.42 g/mol. Its IUPAC name is 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
PubChem CID155555496
Molecular FormulaC21H19F3N6
Molecular Weight412.42 g/mol
Exact Mass412.16
IUPAC Name6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)c1cccc(CNc2nc(NCCc3ccccc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)16-8-4-7-15(11-16)12-26-20-29-18(17-19(30-20)28-13-27-17)25-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H3,25,26,27,28,29,30)
InChIKeySOIYUERELUJLNO-UHFFFAOYSA-N
XLogP4.64
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-(2-methoxyethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155517706
2-N-(1-methylbenzimidazol-2-yl)-6-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 117086804
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 117084695
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
1-[3-[6-[[3-(trifluoromethyl)phenyl]methylamino]-7H-purin-2-yl]phenyl]ethanone
CID 117082638
2-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 117084170
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-7H-purine-2,6-diamine
CID 117084912
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2-phenoxyethyl)-7H-purine-2,6-diamine
CID 117079140

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine (CID 155555496) is 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine is FC(F)(F)c1cccc(CNc2nc(NCCc3ccccc3)c3[nH]cnc3n2)c1.
What is the InChIKey of 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine?
The InChIKey is SOIYUERELUJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6/c22-21(23,24)16-8-4-7-15(11-16)12-26-20-29-18(17-19(30-20)28-13-27-17)25-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine?
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine has a molecular weight of 412.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 155555496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).