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

C10H11FN4S — CID 106515990

IUPAC5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCCCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C10H11FN4S/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyQDQBGWPLYPIJBU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.55
Rot. Bonds3

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

5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione (PubChem CID 106515990) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
PubChem CID106515990
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
SMILESCCCn1cc(-c2[nH]c(=S)ncc2F)cn1
InChIInChI=1S/C10H11FN4S/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyQDQBGWPLYPIJBU-UHFFFAOYSA-N
XLogP2.55
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.55
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
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
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 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione (CID 106515990) is 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione is CCCn1cc(-c2[nH]c(=S)ncc2F)cn1.
What is the InChIKey of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione?
The InChIKey is QDQBGWPLYPIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione?
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione has a molecular weight of 238.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106515990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).