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

C14H19F6N5O2 — CID 2192507

IUPACN-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-2-3-4-21-10-22-11(25-5-7-26-8-6-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h9H,2-8H2,1H3,(H,21,22,23,24)
InChIKeyMRRAQQPGODFLDK-UHFFFAOYSA-N
MW403.33 g/mol
LogP2.79
Rot. Bonds7

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

N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2192507) has the molecular formula C14H19F6N5O2 and a molecular weight of 403.33 g/mol. Its IUPAC name is N-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-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID2192507
Molecular FormulaC14H19F6N5O2
Molecular Weight403.33 g/mol
Exact Mass403.14
IUPAC NameN-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-2-3-4-21-10-22-11(25-5-7-26-8-6-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h9H,2-8H2,1H3,(H,21,22,23,24)
InChIKeyMRRAQQPGODFLDK-UHFFFAOYSA-N
XLogP2.79
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
N-cyclohexyl-4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3237373
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
CID 44558575
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
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-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-4-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazine
CID 1068865
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
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827457
(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

Frequently Asked Questions

What is the IUPAC name of N-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-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 2192507) is N-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-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-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MRRAQQPGODFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F6N5O2/c1-2-3-4-21-10-22-11(25-5-7-26-8-6-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h9H,2-8H2,1H3,(H,21,22,23,24).
What are the key properties of N-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-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, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-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 2192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).