4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C11H18F3N5O2 — CID 80819388

IUPAC4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOCC(F)(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H18F3N5O2/c1-7(2)21-10-18-8(15-3)17-9(19-10)16-4-5-20-6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIWTPNICDJMHIBZ-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.69
Rot. Bonds8

About 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80819388) has the molecular formula C11H18F3N5O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80819388
Molecular FormulaC11H18F3N5O2
Molecular Weight309.29 g/mol
Exact Mass309.14
IUPAC Name4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOCC(F)(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H18F3N5O2/c1-7(2)21-10-18-8(15-3)17-9(19-10)16-4-5-20-6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIWTPNICDJMHIBZ-UHFFFAOYSA-N
XLogP1.69
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
N-methyl-4-(morpholin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068
N-ethyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 549848
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
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
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
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80819388) is 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is CNc1nc(NCCOCC(F)(F)F)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IWTPNICDJMHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O2/c1-7(2)21-10-18-8(15-3)17-9(19-10)16-4-5-20-6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 309.29 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).