6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C10H9F2N5S — CID 8926530

IUPAC6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N5S/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyJADXQBCHWZBSEU-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.61
Rot. Bonds3

About 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8926530) has the molecular formula C10H9F2N5S and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID8926530
Molecular FormulaC10H9F2N5S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N5S/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17)
InChIKeyJADXQBCHWZBSEU-UHFFFAOYSA-N
XLogP1.61
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 8926530) is 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JADXQBCHWZBSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5S/c11-6-2-1-5(3-7(6)12)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4H2,(H4,13,14,15,16,17).
What are the key properties of 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 269.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8926530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).