6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione

C9H9FN4S — CID 106515924

IUPAC6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
SMILESCCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C9H9FN4S/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyOXJSQWKDGKZESC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.16
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione

6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione (PubChem CID 106515924) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
PubChem CID106515924
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
SMILESCCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C9H9FN4S/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyOXJSQWKDGKZESC-UHFFFAOYSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515831
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515845
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515856
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one
CID 106515902
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515967
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515979
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515990
6-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106716261
6-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776744
6-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776751
6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 113844140

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione (CID 106515924) is 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione is CCn1cc(-c2[nH]c(=S)ncc2F)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione?
The InChIKey is OXJSQWKDGKZESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione?
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione has a molecular weight of 224.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione is sourced from PubChem (CID 106515924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).