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

C6H9FN4S — CID 83241704

IUPAC2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCC(C)(F)c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H9FN4S/c1-6(2,7)3-9-4(8)11-5(12)10-3/h1-2H3,(H3,8,9,10,11,12)
InChIKeyXLJPPOYVVZEWMJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.32
Rot. Bonds1

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

2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 83241704) has the molecular formula C6H9FN4S and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione
PubChem CID83241704
Molecular FormulaC6H9FN4S
Molecular Weight188.23 g/mol
Exact Mass188.05
IUPAC Name2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione
SMILESCC(C)(F)c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H9FN4S/c1-6(2,7)3-9-4(8)11-5(12)10-3/h1-2H3,(H3,8,9,10,11,12)
InChIKeyXLJPPOYVVZEWMJ-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.32
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-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione (CID 83241704) is 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione is CC(C)(F)c1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is XLJPPOYVVZEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4S/c1-6(2,7)3-9-4(8)11-5(12)10-3/h1-2H3,(H3,8,9,10,11,12).
What are the key properties of 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 188.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluoropropan-2-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).