N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C21H21F3N6O — CID 1116175

IUPACN,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(N2CCNCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)15-31-20-27-18(29-13-11-25-12-14-29)26-19(28-20)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,25H,11-15H2
InChIKeyGVARBTZTWONXQT-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.69
Rot. Bonds6

About N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 1116175) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID1116175
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC NameN,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(N2CCNCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)15-31-20-27-18(29-13-11-25-12-14-29)26-19(28-20)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,25H,11-15H2
InChIKeyGVARBTZTWONXQT-UHFFFAOYSA-N
XLogP3.69
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
[1,3,5]Triazine-2,4-diamine, N,N-diphenyl-6-(piperidin-1-yl)-
CID 712288
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 3942679
N-Methyl-N'-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285899

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 1116175) is N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(N2CCNCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is GVARBTZTWONXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)15-31-20-27-18(29-13-11-25-12-14-29)26-19(28-20)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,25H,11-15H2.
What are the key properties of N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 430.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1116175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).