4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

C12H13FN4S — CID 66065142

IUPAC4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyDENROFCXLMLZHU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.45
Rot. Bonds4

About 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (PubChem CID 66065142) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
PubChem CID66065142
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyDENROFCXLMLZHU-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (CID 66065142) is 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is CCc1nc(N)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The InChIKey is DENROFCXLMLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c1-2-10-15-11(17-12(14)16-10)7-18-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).