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

C13H15F6N5O2 — CID 2827457

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H15F6N5O2/c1-2-3-20-9-21-10(24-4-6-25-7-5-24)23-11(22-9)26-8(12(14,15)16)13(17,18)19/h2,8H,1,3-7H2,(H,20,21,22,23)
InChIKeyWJIOOUYHFRHXJO-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.18
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 2827457) has the molecular formula C13H15F6N5O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID2827457
Molecular FormulaC13H15F6N5O2
Molecular Weight387.28 g/mol
Exact Mass387.11
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H15F6N5O2/c1-2-3-20-9-21-10(24-4-6-25-7-5-24)23-11(22-9)26-8(12(14,15)16)13(17,18)19/h2,8H,1,3-7H2,(H,20,21,22,23)
InChIKeyWJIOOUYHFRHXJO-UHFFFAOYSA-N
XLogP2.18
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
1,3,5-Triazine, 2-allylamino-4,6-bis(4-morpholyl)-
CID 627850
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
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
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827458
(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
1,3,5-Triazine, 2-allylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 549774
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
N-[(2S)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1115551
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 3899680
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 4441372

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 2827457) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is WJIOOUYHFRHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N5O2/c1-2-3-20-9-21-10(24-4-6-25-7-5-24)23-11(22-9)26-8(12(14,15)16)13(17,18)19/h2,8H,1,3-7H2,(H,20,21,22,23).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 387.28 g/mol, XLogP of 2.18, 6 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)-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2827457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).