5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione

C9H5F2N3S — CID 106515789

IUPAC5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESFc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C9H5F2N3S/c10-6-1-5(2-12-3-6)8-7(11)4-13-9(15)14-8/h1-4H,(H,13,14,15)
InChIKeyAREQCDMJJCPCJO-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.48
Rot. Bonds1

About 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione

5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione (PubChem CID 106515789) has the molecular formula C9H5F2N3S and a molecular weight of 225.22 g/mol. Its IUPAC name is 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
PubChem CID106515789
Molecular FormulaC9H5F2N3S
Molecular Weight225.22 g/mol
Exact Mass225.02
IUPAC Name5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESFc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C9H5F2N3S/c10-6-1-5(2-12-3-6)8-7(11)4-13-9(15)14-8/h1-4H,(H,13,14,15)
InChIKeyAREQCDMJJCPCJO-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.48
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

5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520729
6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106516337
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756
5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
CID 130649775
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106516785
5-fluoro-6-[4-(trifluoromethyl)thiophen-3-yl]-1H-pyrimidine-2-thione
CID 112745765
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
CID 136639651
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione (CID 106515789) is 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione is Fc1cncc(-c2[nH]c(=S)ncc2F)c1.
What is the InChIKey of 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione?
The InChIKey is AREQCDMJJCPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3S/c10-6-1-5(2-12-3-6)8-7(11)4-13-9(15)14-8/h1-4H,(H,13,14,15).
What are the key properties of 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione?
5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione has a molecular weight of 225.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).