2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

C16H19F4N5O — CID 129304820

IUPAC2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C16H19F4N5O/c1-3-25(4-2)14-22-13(21-11-8-6-5-7-9-11)23-15(24-14)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24)
InChIKeyLNSCVAIBKXTZPJ-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.74
Rot. Bonds9

About 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129304820) has the molecular formula C16H19F4N5O and a molecular weight of 373.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID129304820
Molecular FormulaC16H19F4N5O
Molecular Weight373.35 g/mol
Exact Mass373.15
IUPAC Name2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C16H19F4N5O/c1-3-25(4-2)14-22-13(21-11-8-6-5-7-9-11)23-15(24-14)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24)
InChIKeyLNSCVAIBKXTZPJ-UHFFFAOYSA-N
XLogP3.74
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
1-(2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 658880
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 129304820) is 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LNSCVAIBKXTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5O/c1-3-25(4-2)14-22-13(21-11-8-6-5-7-9-11)23-15(24-14)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 373.35 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129304820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).