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

C11H12FN5S — CID 80889363

IUPAC5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C11H12FN5S/c1-2-3-15-11-16-6-8(12)10(17-11)18-9-7-13-4-5-14-9/h4-7H,2-3H2,1H3,(H,15,16,17)
InChIKeyFLWXVJZGGCEQPU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.38
Rot. Bonds5

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

5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80889363) has the molecular formula C11H12FN5S and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80889363
Molecular FormulaC11H12FN5S
Molecular Weight265.32 g/mol
Exact Mass265.08
IUPAC Name5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C11H12FN5S/c1-2-3-15-11-16-6-8(12)10(17-11)18-9-7-13-4-5-14-9/h4-7H,2-3H2,1H3,(H,15,16,17)
InChIKeyFLWXVJZGGCEQPU-UHFFFAOYSA-N
XLogP2.38
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
4-butyl-5-fluoro-N-propylpyrimidin-2-amine
CID 106659320
5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889111
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (CID 80889363) is 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2cnccn2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is FLWXVJZGGCEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5S/c1-2-3-15-11-16-6-8(12)10(17-11)18-9-7-13-4-5-14-9/h4-7H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).