6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione

C8H7F3N2S — CID 106776761

IUPAC6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14)
InChIKeyFISHDKUFQWKAKG-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.04
Rot. Bonds1

About 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione

6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione (PubChem CID 106776761) has the molecular formula C8H7F3N2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
PubChem CID106776761
Molecular FormulaC8H7F3N2S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14)
InChIKeyFISHDKUFQWKAKG-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione (CID 106776761) is 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is FC(F)(F)c1nc(=S)cc(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The InChIKey is FISHDKUFQWKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2S/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione has a molecular weight of 220.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106776761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).