2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C8H13FN4O2S — CID 106341634

IUPAC2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(F)ncn1
InChIInChI=1S/C8H13FN4O2S/c1-13(2)16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKKTYRLJFHHAYSK-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.08
Rot. Bonds5

About 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341634) has the molecular formula C8H13FN4O2S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341634
Molecular FormulaC8H13FN4O2S
Molecular Weight248.28 g/mol
Exact Mass248.07
IUPAC Name2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(F)ncn1
InChIInChI=1S/C8H13FN4O2S/c1-13(2)16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKKTYRLJFHHAYSK-UHFFFAOYSA-N
XLogP-0.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341634) is 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(F)ncn1.
What is the InChIKey of 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is KKTYRLJFHHAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2S/c1-13(2)16(14,15)4-3-10-8-5-7(9)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 248.28 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).