5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine

C8H6FN5S — CID 80888845

IUPAC5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C8H6FN5S/c9-5-3-13-8(10)14-7(5)15-6-4-11-1-2-12-6/h1-4H,(H2,10,13,14)
InChIKeyBHWOPQGUZNNKMU-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.14
Rot. Bonds2

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

5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80888845) has the molecular formula C8H6FN5S and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80888845
Molecular FormulaC8H6FN5S
Molecular Weight223.24 g/mol
Exact Mass223.03
IUPAC Name5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C8H6FN5S/c9-5-3-13-8(10)14-7(5)15-6-4-11-1-2-12-6/h1-4H,(H2,10,13,14)
InChIKeyBHWOPQGUZNNKMU-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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Related Compounds

2-(Pyrazin-2-ylsulfanyl)pyrimidine-4,6-diamine
CID 132278902
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 79075268
2-Chloro-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 79075269
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
2-Chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine
CID 79076732
2-Chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
CID 79076829
2-(2-Amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885325
5-Fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
CID 80886986
5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887075
5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
CID 80887774
N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887853
5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887976

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (CID 80888845) is 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine is Nc1ncc(F)c(Sc2cnccn2)n1.
What is the InChIKey of 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is BHWOPQGUZNNKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5S/c9-5-3-13-8(10)14-7(5)15-6-4-11-1-2-12-6/h1-4H,(H2,10,13,14).
What are the key properties of 5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-4-pyrazin-2-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-pyrazin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).