6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C21H18F6N6O — CID 1377566

IUPAC6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H18F6N6O/c22-20(23,24)13-3-1-5-15(11-13)28-17-30-18(32-19(31-17)33-7-9-34-10-8-33)29-16-6-2-4-14(12-16)21(25,26)27/h1-6,11-12H,7-10H2,(H2,28,29,30,31,32)
InChIKeyKDAFBFUWKHDJEN-UHFFFAOYSA-N
MW484.40 g/mol
LogP5.23
Rot. Bonds5

About 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1377566) has the molecular formula C21H18F6N6O and a molecular weight of 484.40 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID1377566
Molecular FormulaC21H18F6N6O
Molecular Weight484.40 g/mol
Exact Mass484.14
IUPAC Name6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H18F6N6O/c22-20(23,24)13-3-1-5-15(11-13)28-17-30-18(32-19(31-17)33-7-9-34-10-8-33)29-16-6-2-4-14(12-16)21(25,26)27/h1-6,11-12H,7-10H2,(H2,28,29,30,31,32)
InChIKeyKDAFBFUWKHDJEN-UHFFFAOYSA-N
XLogP5.23
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
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
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 1377566) is 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KDAFBFUWKHDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N6O/c22-20(23,24)13-3-1-5-15(11-13)28-17-30-18(32-19(31-17)33-7-9-34-10-8-33)29-16-6-2-4-14(12-16)21(25,26)27/h1-6,11-12H,7-10H2,(H2,28,29,30,31,32).
What are the key properties of 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 484.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1377566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).