4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine

C10H9FN4OS — CID 80894655

IUPAC4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H9FN4OS/c1-16-9-13-8(12)14-10(15-9)17-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyDLVSFAQIZNBDHY-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.75
Rot. Bonds3

About 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine

4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80894655) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80894655
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H9FN4OS/c1-16-9-13-8(12)14-10(15-9)17-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyDLVSFAQIZNBDHY-UHFFFAOYSA-N
XLogP1.75
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine
CID 114053348
4-[4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]benzonitrile
CID 155530404
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887155
2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798311
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 114073919
4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80889557
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine (CID 80894655) is 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(Sc2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is DLVSFAQIZNBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-16-9-13-8(12)14-10(15-9)17-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine?
4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 252.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).