5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione

C8H10FN3S — CID 28537195

IUPAC5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1N1CCCC1
InChIInChI=1S/C8H10FN3S/c9-6-5-10-8(13)11-7(6)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyIUPISTUXNYSRFD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.88
Rot. Bonds1

About 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione

5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione (PubChem CID 28537195) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione
PubChem CID28537195
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1N1CCCC1
InChIInChI=1S/C8H10FN3S/c9-6-5-10-8(13)11-7(6)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyIUPISTUXNYSRFD-UHFFFAOYSA-N
XLogP1.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione (CID 28537195) is 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione is Fc1cnc(=S)[nH]c1N1CCCC1.
What is the InChIKey of 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
The InChIKey is IUPISTUXNYSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-6-5-10-8(13)11-7(6)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione?
5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione has a molecular weight of 199.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 28537195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).