6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione

C10H6F3N3S — CID 106522532

IUPAC6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione
SMILESFC(F)(F)c1ccncc1-c1ccnc(=S)[nH]1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-1-3-14-5-6(7)8-2-4-15-9(17)16-8/h1-5H,(H,15,16,17)
InChIKeyQSPUDNALUPBZFN-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.22
Rot. Bonds1

About 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione

6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione (PubChem CID 106522532) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione
PubChem CID106522532
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione
SMILESFC(F)(F)c1ccncc1-c1ccnc(=S)[nH]1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)7-1-3-14-5-6(7)8-2-4-15-9(17)16-8/h1-5H,(H,15,16,17)
InChIKeyQSPUDNALUPBZFN-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 158301528
6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 1240105
2,5-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-4-thione
CID 106522562
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
CID 106522555
3-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 139919806
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106516785
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
3-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazin-6-one
CID 106522536
6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
CID 4773626
3-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168913034
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione?
The IUPAC name of 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione (CID 106522532) is 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione?
The canonical SMILES for 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione is FC(F)(F)c1ccncc1-c1ccnc(=S)[nH]1.
What is the InChIKey of 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione?
The InChIKey is QSPUDNALUPBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c11-10(12,13)7-1-3-14-5-6(7)8-2-4-15-9(17)16-8/h1-5H,(H,15,16,17).
What are the key properties of 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione?
6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione has a molecular weight of 257.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione is sourced from PubChem (CID 106522532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).