6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine

C9H8FN5S — CID 25099569

IUPAC6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN5S/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H4,11,12,13,14,15)
InChIKeyDFNUFJWAWGSRKA-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.33
Rot. Bonds2

About 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine

6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 25099569) has the molecular formula C9H8FN5S and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID25099569
Molecular FormulaC9H8FN5S
Molecular Weight237.26 g/mol
Exact Mass237.05
IUPAC Name6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN5S/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H4,11,12,13,14,15)
InChIKeyDFNUFJWAWGSRKA-UHFFFAOYSA-N
XLogP1.33
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 25099569) is 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DFNUFJWAWGSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5S/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H4,11,12,13,14,15).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25099569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).