2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione

C10H8F2N4S — CID 83240431

IUPAC2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(Cc2c(F)cccc2F)[nH]1
InChIInChI=1S/C10H8F2N4S/c11-6-2-1-3-7(12)5(6)4-8-14-9(13)16-10(17)15-8/h1-3H,4H2,(H3,13,14,15,16,17)
InChIKeyJSZWKMMWQDRLME-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione

2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione (PubChem CID 83240431) has the molecular formula C10H8F2N4S and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione
PubChem CID83240431
Molecular FormulaC10H8F2N4S
Molecular Weight254.26 g/mol
Exact Mass254.04
IUPAC Name2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(Cc2c(F)cccc2F)[nH]1
InChIInChI=1S/C10H8F2N4S/c11-6-2-1-3-7(12)5(6)4-8-14-9(13)16-10(17)15-8/h1-3H,4H2,(H3,13,14,15,16,17)
InChIKeyJSZWKMMWQDRLME-UHFFFAOYSA-N
XLogP1.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione (CID 83240431) is 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(Cc2c(F)cccc2F)[nH]1.
What is the InChIKey of 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione?
The InChIKey is JSZWKMMWQDRLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4S/c11-6-2-1-3-7(12)5(6)4-8-14-9(13)16-10(17)15-8/h1-3H,4H2,(H3,13,14,15,16,17).
What are the key properties of 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione?
2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione has a molecular weight of 254.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).