6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

C16H17FN4S — CID 129275084

IUPAC6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1
InChIInChI=1S/C16H17FN4S/c17-15-5-3-13(4-6-15)10-22-16-19-11-21(12-20-16)9-14-2-1-7-18-8-14/h1-8H,9-12H2,(H,19,20)
InChIKeyQISLUKYHNIDYIN-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.83
Rot. Bonds4

About 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 129275084) has the molecular formula C16H17FN4S and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
PubChem CID129275084
Molecular FormulaC16H17FN4S
Molecular Weight316.41 g/mol
Exact Mass316.12
IUPAC Name6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1
InChIInChI=1S/C16H17FN4S/c17-15-5-3-13(4-6-15)10-22-16-19-11-21(12-20-16)9-14-2-1-7-18-8-14/h1-8H,9-12H2,(H,19,20)
InChIKeyQISLUKYHNIDYIN-UHFFFAOYSA-N
XLogP2.83
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312146
6-[(4-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129275096
6-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
CID 2824033
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129312296
5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 129312701
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 142560582
3-(cyclopropylmethyl)-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 138560858
3-(pyridin-3-ylmethylsulfanyl)-2,5-dihydro-1H-2,4-benzodiazepine
CID 169005256
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (CID 129275084) is 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is Fc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is QISLUKYHNIDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c17-15-5-3-13(4-6-15)10-22-16-19-11-21(12-20-16)9-14-2-1-7-18-8-14/h1-8H,9-12H2,(H,19,20).
What are the key properties of 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 316.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 129275084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).