6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine

C11H18F3N5O — CID 115523140

IUPAC6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCCC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C11H18F3N5O/c1-3-15-8-17-9(19-10(18-8)20-4-2)16-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCECKPXCCVOBWLJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.46
Rot. Bonds8

About 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 115523140) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID115523140
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCCC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C11H18F3N5O/c1-3-15-8-17-9(19-10(18-8)20-4-2)16-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCECKPXCCVOBWLJ-UHFFFAOYSA-N
XLogP2.46
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106434023
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 627767
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
4-ethoxy-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 80909165

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine (CID 115523140) is 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCCC(F)(F)F)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CECKPXCCVOBWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-3-15-8-17-9(19-10(18-8)20-4-2)16-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.29 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).