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

C13H16FN3S — CID 2798319

IUPAC3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1cccc(CSC2=NCN(C3CC3)CN2)c1
InChIInChI=1S/C13H16FN3S/c14-11-3-1-2-10(6-11)7-18-13-15-8-17(9-16-13)12-4-5-12/h1-3,6,12H,4-5,7-9H2,(H,15,16)
InChIKeyYQFVGSUUVNOUTM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.40
Rot. Bonds3

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

3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 2798319) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID2798319
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1cccc(CSC2=NCN(C3CC3)CN2)c1
InChIInChI=1S/C13H16FN3S/c14-11-3-1-2-10(6-11)7-18-13-15-8-17(9-16-13)12-4-5-12/h1-3,6,12H,4-5,7-9H2,(H,15,16)
InChIKeyYQFVGSUUVNOUTM-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
CID 660446
2-Benzyl-1-cyclohexyl-3-methyl-isothiourea
CID 546141
3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
CID 2806733
3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 2806734
3-tert-butyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 2806862
3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride
CID 45108796
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine
CID 2798323
6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312146
3-[(3-fluorophenyl)methyl]-6-[(5-methylcyclohepta-1,3,6-trien-1-yl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312288
3-[(4-fluorophenyl)methyl]-6-[(5-methylcyclohepta-1,3,6-trien-1-yl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312422
6-benzylsulfanyl-3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312633

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 2798319) is 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is Fc1cccc(CSC2=NCN(C3CC3)CN2)c1.
What is the InChIKey of 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is YQFVGSUUVNOUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c14-11-3-1-2-10(6-11)7-18-13-15-8-17(9-16-13)12-4-5-12/h1-3,6,12H,4-5,7-9H2,(H,15,16).
What are the key properties of 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 265.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(3-fluorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 2798319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).