4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine

C13H15FN4OS — CID 80894947

IUPAC4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4OS/c1-3-15-11-16-12(19-4-2)18-13(17-11)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyXUHUKYCHGWWGJF-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.99
Rot. Bonds6

About 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80894947) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80894947
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4OS/c1-3-15-11-16-12(19-4-2)18-13(17-11)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyXUHUKYCHGWWGJF-UHFFFAOYSA-N
XLogP2.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80890904
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine (CID 80894947) is 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(Sc2cccc(F)c2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XUHUKYCHGWWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-3-15-11-16-12(19-4-2)18-13(17-11)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).