2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide

C8H13ClN4O2S — CID 80936600

IUPAC2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCc1nc(Cl)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H13ClN4O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H,11,12,13)
InChIKeyXNXGKYFRIAWUNR-UHFFFAOYSA-N
MW264.74 g/mol
LogP0.39
Rot. Bonds5

About 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80936600) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80936600
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC Name2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCc1nc(Cl)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H13ClN4O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H,11,12,13)
InChIKeyXNXGKYFRIAWUNR-UHFFFAOYSA-N
XLogP0.39
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide (CID 80936600) is 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide is CCc1nc(Cl)cc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is XNXGKYFRIAWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H,11,12,13).
What are the key properties of 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 264.74 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80936600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).