2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione

C7H10F2N4S — CID 130605225

IUPAC2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCC(c1nc(=S)nc(N)[nH]1)C(C)(F)F
InChIInChI=1S/C7H10F2N4S/c1-3(7(2,8)9)4-11-5(10)13-6(14)12-4/h3H,1-2H3,(H3,10,11,12,13,14)
InChIKeyUFEMHMHNKPVIBM-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 130605225) has the molecular formula C7H10F2N4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione
PubChem CID130605225
Molecular FormulaC7H10F2N4S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCC(c1nc(=S)nc(N)[nH]1)C(C)(F)F
InChIInChI=1S/C7H10F2N4S/c1-3(7(2,8)9)4-11-5(10)13-6(14)12-4/h3H,1-2H3,(H3,10,11,12,13,14)
InChIKeyUFEMHMHNKPVIBM-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.88
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-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione (CID 130605225) is 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione is CC(c1nc(=S)nc(N)[nH]1)C(C)(F)F.
What is the InChIKey of 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is UFEMHMHNKPVIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4S/c1-3(7(2,8)9)4-11-5(10)13-6(14)12-4/h3H,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 220.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,3-difluorobutan-2-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 130605225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).