2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

C10H17ClN4O2S — CID 114175880

IUPAC2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H17ClN4O2S/c1-4-13-18(16,17)6-5-12-10-7(2)9(11)14-8(3)15-10/h13H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyUWDCQXFSSUHOPH-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.10
Rot. Bonds6

About 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (PubChem CID 114175880) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
PubChem CID114175880
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H17ClN4O2S/c1-4-13-18(16,17)6-5-12-10-7(2)9(11)14-8(3)15-10/h13H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyUWDCQXFSSUHOPH-UHFFFAOYSA-N
XLogP1.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (CID 114175880) is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is UWDCQXFSSUHOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-4-13-18(16,17)6-5-12-10-7(2)9(11)14-8(3)15-10/h13H,4-6H2,1-3H3,(H,12,14,15).
What are the key properties of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 114175880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).