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

C11H12FN5S — CID 80887774

IUPAC5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C11H12FN5S/c1-2-4-13-10-16-7-8(12)9(17-10)18-11-14-5-3-6-15-11/h3,5-7H,2,4H2,1H3,(H,13,16,17)
InChIKeyNFRUEBYTAFXJHC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.38
Rot. Bonds5

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

5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80887774) has the molecular formula C11H12FN5S and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80887774
Molecular FormulaC11H12FN5S
Molecular Weight265.32 g/mol
Exact Mass265.08
IUPAC Name5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C11H12FN5S/c1-2-4-13-10-16-7-8(12)9(17-10)18-11-14-5-3-6-15-11/h3,5-7H,2,4H2,1H3,(H,13,16,17)
InChIKeyNFRUEBYTAFXJHC-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine (CID 80887774) is 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2ncccn2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is NFRUEBYTAFXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5S/c1-2-4-13-10-16-7-8(12)9(17-10)18-11-14-5-3-6-15-11/h3,5-7H,2,4H2,1H3,(H,13,16,17).
What are the key properties of 5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-N-propyl-4-pyrimidin-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-pyrimidin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).