5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C6H4FN5S2 — CID 130593825

IUPAC5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1nc(Sc2ncns2)ncc1F
InChIInChI=1S/C6H4FN5S2/c7-3-1-9-5(12-4(3)8)13-6-10-2-11-14-6/h1-2H,(H2,8,9,12)
InChIKeyHLDYSUHKPYPQBA-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.20
Rot. Bonds2

About 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 130593825) has the molecular formula C6H4FN5S2 and a molecular weight of 229.27 g/mol. Its IUPAC name is 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID130593825
Molecular FormulaC6H4FN5S2
Molecular Weight229.27 g/mol
Exact Mass228.99
IUPAC Name5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1nc(Sc2ncns2)ncc1F
InChIInChI=1S/C6H4FN5S2/c7-3-1-9-5(12-4(3)8)13-6-10-2-11-14-6/h1-2H,(H2,8,9,12)
InChIKeyHLDYSUHKPYPQBA-UHFFFAOYSA-N
XLogP1.20
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 130593825) is 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is Nc1nc(Sc2ncns2)ncc1F.
What is the InChIKey of 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is HLDYSUHKPYPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN5S2/c7-3-1-9-5(12-4(3)8)13-6-10-2-11-14-6/h1-2H,(H2,8,9,12).
What are the key properties of 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 229.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 130593825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).