N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide

C10H15FN4O2S — CID 154582483

IUPACN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2ncncc2F)C1)S(C)(=O)=O
InChIInChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)8-3-4-15(6-8)10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeySAGXRVSLGURRPA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.09
Rot. Bonds3

About N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide

N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 154582483) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
PubChem CID154582483
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC NameN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2ncncc2F)C1)S(C)(=O)=O
InChIInChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)8-3-4-15(6-8)10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeySAGXRVSLGURRPA-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 136539718
N-[1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 168452958
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] methanesulfonate
CID 57818847
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
N'-(5-fluoro-2-methanesulfonylpyrimidin-4-yl)-N,N-dimethylformamidine
CID 58318919
2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine
CID 126629685
(2S,3R)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541833
3-Amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541837
(2S)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541839
(2S,3S)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134542188
(2R,3S)-3-amino-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134543499

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide (CID 154582483) is N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide is CN(C1CCN(c2ncncc2F)C1)S(C)(=O)=O.
What is the InChIKey of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is SAGXRVSLGURRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c1-14(18(2,16)17)8-3-4-15(6-8)10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide?
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 154582483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).