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

C14H19F6N5O2 — CID 1113192

IUPACN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-12(2,3)24-9-21-10(25-4-6-26-7-5-25)23-11(22-9)27-8(13(15,16)17)14(18,19)20/h8H,4-7H2,1-3H3,(H,21,22,23,24)
InChIKeyIIPPSHUQEHKQTP-UHFFFAOYSA-N
MW403.33 g/mol
LogP2.79
Rot. Bonds4

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

N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1113192) has the molecular formula C14H19F6N5O2 and a molecular weight of 403.33 g/mol. Its IUPAC name is N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1113192
Molecular FormulaC14H19F6N5O2
Molecular Weight403.33 g/mol
Exact Mass403.14
IUPAC NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-12(2,3)24-9-21-10(25-4-6-26-7-5-25)23-11(22-9)27-8(13(15,16)17)14(18,19)20/h8H,4-7H2,1-3H3,(H,21,22,23,24)
InChIKeyIIPPSHUQEHKQTP-UHFFFAOYSA-N
XLogP2.79
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
4-fluoro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 14690828
2-N,4-N-ditert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 2826898
2-[[4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 3158767
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
(Methylpropyl){4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy](1,3,5-triazin-2-yl)}amine
CID 3094637
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N,N-dimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 3942683
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N,N-dipropyl-1,3,5-triazin-2-amine
CID 3942684
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 3942685
N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1115550

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1113192) is N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is IIPPSHUQEHKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F6N5O2/c1-12(2,3)24-9-21-10(25-4-6-26-7-5-25)23-11(22-9)27-8(13(15,16)17)14(18,19)20/h8H,4-7H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 403.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1113192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).