4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C17H17F6N5O2 — CID 1068748

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H17F6N5O2/c1-10-2-4-11(5-3-10)24-13-25-14(28-6-8-29-9-7-28)27-15(26-13)30-12(16(18,19)20)17(21,22)23/h2-5,12H,6-9H2,1H3,(H,24,25,26,27)
InChIKeyFVFOZCBFMTVJII-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.63
Rot. Bonds5

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1068748) has the molecular formula C17H17F6N5O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1068748
Molecular FormulaC17H17F6N5O2
Molecular Weight437.34 g/mol
Exact Mass437.13
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H17F6N5O2/c1-10-2-4-11(5-3-10)24-13-25-14(28-6-8-29-9-7-28)27-15(26-13)30-12(16(18,19)20)17(21,22)23/h2-5,12H,6-9H2,1H3,(H,24,25,26,27)
InChIKeyFVFOZCBFMTVJII-UHFFFAOYSA-N
XLogP3.63
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
CID 72163596
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
CID 72163598
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,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
N2,N4-bis(p-tolyl)-N6-(tetrahydrofuran-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 2861253
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
(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,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1068748) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is FVFOZCBFMTVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N5O2/c1-10-2-4-11(5-3-10)24-13-25-14(28-6-8-29-9-7-28)27-15(26-13)30-12(16(18,19)20)17(21,22)23/h2-5,12H,6-9H2,1H3,(H,24,25,26,27).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 437.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1068748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).