N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide

C7H11FN4O2S — CID 115416527

IUPACN-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(F)ncn1
InChIInChI=1S/C7H11FN4O2S/c1-15(13,14)12-3-2-9-7-4-6(8)10-5-11-7/h4-5,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyJPXYPEUBBFIGNN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds5

About N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 115416527) has the molecular formula C7H11FN4O2S and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID115416527
Molecular FormulaC7H11FN4O2S
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC NameN-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(F)ncn1
InChIInChI=1S/C7H11FN4O2S/c1-15(13,14)12-3-2-9-7-4-6(8)10-5-11-7/h4-5,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyJPXYPEUBBFIGNN-UHFFFAOYSA-N
XLogP-0.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 121073997
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 112675620
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 115417074
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
ethyl 4-[(6-fluoropyrimidin-4-yl)amino]butanoate
CID 115417070
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
6-fluoro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193063
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 115416527) is N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(F)ncn1.
What is the InChIKey of N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is JPXYPEUBBFIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2S/c1-15(13,14)12-3-2-9-7-4-6(8)10-5-11-7/h4-5,12H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 234.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 115416527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).