6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

C10H16F3N5OS — CID 106434023

IUPAC6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCSC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C10H16F3N5OS/c1-3-14-7-16-8(18-9(17-7)19-4-2)15-5-6-20-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGXZFUTLTJXQTIV-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.37
Rot. Bonds8

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

6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106434023) has the molecular formula C10H16F3N5OS and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID106434023
Molecular FormulaC10H16F3N5OS
Molecular Weight311.33 g/mol
Exact Mass311.10
IUPAC Name6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCSC(F)(F)F)nc(OCC)n1
InChIInChI=1S/C10H16F3N5OS/c1-3-14-7-16-8(18-9(17-7)19-4-2)15-5-6-20-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGXZFUTLTJXQTIV-UHFFFAOYSA-N
XLogP2.37
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.37
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

6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
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
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 106434023) is 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCSC(F)(F)F)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GXZFUTLTJXQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5OS/c1-3-14-7-16-8(18-9(17-7)19-4-2)15-5-6-20-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 311.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106434023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).