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

C8H7FN4S — CID 106515856

IUPAC5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C8H7FN4S/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyNHRNPOFLMZDNDG-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.68
Rot. Bonds1

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

5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione (PubChem CID 106515856) has the molecular formula C8H7FN4S and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
PubChem CID106515856
Molecular FormulaC8H7FN4S
Molecular Weight210.24 g/mol
Exact Mass210.04
IUPAC Name5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C8H7FN4S/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyNHRNPOFLMZDNDG-UHFFFAOYSA-N
XLogP1.68
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.68
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

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
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one
CID 106515902
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
CID 106515924
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-(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
6-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 113875991
1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
CID 177039474

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione (CID 106515856) is 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione is Cn1cc(-c2[nH]c(=S)ncc2F)cn1.
What is the InChIKey of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The InChIKey is NHRNPOFLMZDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4S/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14).
What are the key properties of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione?
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione has a molecular weight of 210.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106515856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).