3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

C23H33FN6S2 — CID 155019873

IUPAC3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CSC2=NCN(CCC3CC3)CN2)c(CSC2=NCN(CC3CC3)CN2)c1
InChIInChI=1S/C23H33FN6S2/c24-21-6-5-19(11-31-22-25-13-29(14-26-22)8-7-17-1-2-17)20(9-21)12-32-23-27-15-30(16-28-23)10-18-3-4-18/h5-6,9,17-18H,1-4,7-8,10-16H2,(H,25,26)(H,27,28)
InChIKeyCBFOJRJSOGFLMC-UHFFFAOYSA-N
MW476.69 g/mol
LogP3.85
Rot. Bonds9

About 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 155019873) has the molecular formula C23H33FN6S2 and a molecular weight of 476.69 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID155019873
Molecular FormulaC23H33FN6S2
Molecular Weight476.69 g/mol
Exact Mass476.22
IUPAC Name3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CSC2=NCN(CCC3CC3)CN2)c(CSC2=NCN(CC3CC3)CN2)c1
InChIInChI=1S/C23H33FN6S2/c24-21-6-5-19(11-31-22-25-13-29(14-26-22)8-7-17-1-2-17)20(9-21)12-32-23-27-15-30(16-28-23)10-18-3-4-18/h5-6,9,17-18H,1-4,7-8,10-16H2,(H,25,26)(H,27,28)
InChIKeyCBFOJRJSOGFLMC-UHFFFAOYSA-N
XLogP3.85
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 155019873) is 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is Fc1ccc(CSC2=NCN(CCC3CC3)CN2)c(CSC2=NCN(CC3CC3)CN2)c1.
What is the InChIKey of 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is CBFOJRJSOGFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN6S2/c24-21-6-5-19(11-31-22-25-13-29(14-26-22)8-7-17-1-2-17)20(9-21)12-32-23-27-15-30(16-28-23)10-18-3-4-18/h5-6,9,17-18H,1-4,7-8,10-16H2,(H,25,26)(H,27,28).
What are the key properties of 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 476.69 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 155019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).