2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione

C15H10FN3S — CID 106474903

IUPAC2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione
SMILESFc1ccc(-c2nc(=S)cc(-c3ccccc3)[nH]2)nc1
InChIInChI=1S/C15H10FN3S/c16-11-6-7-12(17-9-11)15-18-13(8-14(20)19-15)10-4-2-1-3-5-10/h1-9H,(H,18,19,20)
InChIKeyXLDMEUWYVSQYKI-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.01
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione

2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione (PubChem CID 106474903) has the molecular formula C15H10FN3S and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione
PubChem CID106474903
Molecular FormulaC15H10FN3S
Molecular Weight283.33 g/mol
Exact Mass283.06
IUPAC Name2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione
SMILESFc1ccc(-c2nc(=S)cc(-c3ccccc3)[nH]2)nc1
InChIInChI=1S/C15H10FN3S/c16-11-6-7-12(17-9-11)15-18-13(8-14(20)19-15)10-4-2-1-3-5-10/h1-9H,(H,18,19,20)
InChIKeyXLDMEUWYVSQYKI-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106513843
6-(2,6-difluorophenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106518283
6-(2-methyl-4-pyridinyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106521446
2-(3-bromo-4-chlorophenyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474965
6-(2-fluoro-5-methylphenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106514190
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639107
5-ethyl-2-(5-fluoro-2-pyridinyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476856
6-(4-methyl-3-pyridinyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106518926
6-(3-fluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515384
6-bromo-2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639106
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione (CID 106474903) is 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione is Fc1ccc(-c2nc(=S)cc(-c3ccccc3)[nH]2)nc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione?
The InChIKey is XLDMEUWYVSQYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S/c16-11-6-7-12(17-9-11)15-18-13(8-14(20)19-15)10-4-2-1-3-5-10/h1-9H,(H,18,19,20).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione?
2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione has a molecular weight of 283.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).