3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H15FN4OS — CID 154828730

IUPAC3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCSc1ncc(C)c(N2CCC(F)(C(N)=O)C2)n1
InChIInChI=1S/C11H15FN4OS/c1-7-5-14-10(18-2)15-8(7)16-4-3-11(12,6-16)9(13)17/h5H,3-4,6H2,1-2H3,(H2,13,17)
InChIKeyHOPDYUDCHGCKJI-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.91
Rot. Bonds3

About 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide

3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 154828730) has the molecular formula C11H15FN4OS and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID154828730
Molecular FormulaC11H15FN4OS
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCSc1ncc(C)c(N2CCC(F)(C(N)=O)C2)n1
InChIInChI=1S/C11H15FN4OS/c1-7-5-14-10(18-2)15-8(7)16-4-3-11(12,6-16)9(13)17/h5H,3-4,6H2,1-2H3,(H2,13,17)
InChIKeyHOPDYUDCHGCKJI-UHFFFAOYSA-N
XLogP0.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 154828730) is 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CSc1ncc(C)c(N2CCC(F)(C(N)=O)C2)n1.
What is the InChIKey of 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HOPDYUDCHGCKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4OS/c1-7-5-14-10(18-2)15-8(7)16-4-3-11(12,6-16)9(13)17/h5H,3-4,6H2,1-2H3,(H2,13,17).
What are the key properties of 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154828730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).