6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine

C11H17F4N5O — CID 106296089

IUPAC6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)nc(OCC)n1
InChIInChI=1S/C11H17F4N5O/c1-3-5-16-8-18-9(20-10(19-8)21-4-2)17-6-11(14,15)7(12)13/h7H,3-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyUMIFAGURBCLCAS-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.40
Rot. Bonds9

About 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106296089) has the molecular formula C11H17F4N5O and a molecular weight of 311.28 g/mol. Its IUPAC name is 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID106296089
Molecular FormulaC11H17F4N5O
Molecular Weight311.28 g/mol
Exact Mass311.14
IUPAC Name6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)nc(OCC)n1
InChIInChI=1S/C11H17F4N5O/c1-3-5-16-8-18-9(20-10(19-8)21-4-2)17-6-11(14,15)7(12)13/h7H,3-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyUMIFAGURBCLCAS-UHFFFAOYSA-N
XLogP2.40
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296179
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80817723
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine (CID 106296089) is 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC(F)(F)C(F)F)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UMIFAGURBCLCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N5O/c1-3-5-16-8-18-9(20-10(19-8)21-4-2)17-6-11(14,15)7(12)13/h7H,3-6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.28 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106296089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).