5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine

C8H6FN5S — CID 80889458

IUPAC5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2ccncn2)n1
InChIInChI=1S/C8H6FN5S/c9-5-3-12-8(10)14-7(5)15-6-1-2-11-4-13-6/h1-4H,(H2,10,12,14)
InChIKeyUXPDLSIZFPNFHR-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.14
Rot. Bonds2

About 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine

5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (PubChem CID 80889458) has the molecular formula C8H6FN5S and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
PubChem CID80889458
Molecular FormulaC8H6FN5S
Molecular Weight223.24 g/mol
Exact Mass223.03
IUPAC Name5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2ccncn2)n1
InChIInChI=1S/C8H6FN5S/c9-5-3-12-8(10)14-7(5)15-6-1-2-11-4-13-6/h1-4H,(H2,10,12,14)
InChIKeyUXPDLSIZFPNFHR-UHFFFAOYSA-N
XLogP1.14
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (CID 80889458) is 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is Nc1ncc(F)c(Sc2ccncn2)n1.
What is the InChIKey of 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The InChIKey is UXPDLSIZFPNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5S/c9-5-3-12-8(10)14-7(5)15-6-1-2-11-4-13-6/h1-4H,(H2,10,12,14).
What are the key properties of 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine has a molecular weight of 223.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).