N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide

C12H20FN5O3S — CID 50962616

IUPACN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCNc1ncc(F)c(N2CCOCC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H20FN5O3S/c1-17(22(2,19)20)4-3-14-12-15-9-10(13)11(16-12)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyFYSNAEWPRZRFDX-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.24
Rot. Bonds6

About N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide

N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide (PubChem CID 50962616) has the molecular formula C12H20FN5O3S and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide
PubChem CID50962616
Molecular FormulaC12H20FN5O3S
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC NameN-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCNc1ncc(F)c(N2CCOCC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H20FN5O3S/c1-17(22(2,19)20)4-3-14-12-15-9-10(13)11(16-12)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyFYSNAEWPRZRFDX-UHFFFAOYSA-N
XLogP-0.24
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide (CID 50962616) is N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide is CN(CCNc1ncc(F)c(N2CCOCC2)n1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is FYSNAEWPRZRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O3S/c1-17(22(2,19)20)4-3-14-12-15-9-10(13)11(16-12)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide?
N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 333.39 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 50962616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).