6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione

C14H12F3N3S — CID 106776905

IUPAC6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)cc(C2CCCc3cccnc32)[nH]1
InChIInChI=1S/C14H12F3N3S/c15-14(16,17)13-19-10(7-11(21)20-13)9-5-1-3-8-4-2-6-18-12(8)9/h2,4,6-7,9H,1,3,5H2,(H,19,20,21)
InChIKeyFQXURNSMUFOBDQ-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.02
Rot. Bonds1

About 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione

6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione (PubChem CID 106776905) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
PubChem CID106776905
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)cc(C2CCCc3cccnc32)[nH]1
InChIInChI=1S/C14H12F3N3S/c15-14(16,17)13-19-10(7-11(21)20-13)9-5-1-3-8-4-2-6-18-12(8)9/h2,4,6-7,9H,1,3,5H2,(H,19,20,21)
InChIKeyFQXURNSMUFOBDQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione with MolForge

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Related Compounds

5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
CID 106519088
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 102716446
7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 114563116
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione (CID 106776905) is 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione is FC(F)(F)c1nc(=S)cc(C2CCCc3cccnc32)[nH]1.
What is the InChIKey of 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The InChIKey is FQXURNSMUFOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c15-14(16,17)13-19-10(7-11(21)20-13)9-5-1-3-8-4-2-6-18-12(8)9/h2,4,6-7,9H,1,3,5H2,(H,19,20,21).
What are the key properties of 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione has a molecular weight of 311.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106776905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).