2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide

C10H17ClN4O3S — CID 106341586

IUPAC2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(Cl)nc(COC)n1
InChIInChI=1S/C10H17ClN4O3S/c1-3-13-19(16,17)5-4-12-9-6-8(11)14-10(15-9)7-18-2/h6,13H,3-5,7H2,1-2H3,(H,12,14,15)
InChIKeyOIWPKGRDKKKJKI-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.63
Rot. Bonds8

About 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide

2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (PubChem CID 106341586) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
PubChem CID106341586
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(Cl)nc(COC)n1
InChIInChI=1S/C10H17ClN4O3S/c1-3-13-19(16,17)5-4-12-9-6-8(11)14-10(15-9)7-18-2/h6,13H,3-5,7H2,1-2H3,(H,12,14,15)
InChIKeyOIWPKGRDKKKJKI-UHFFFAOYSA-N
XLogP0.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341151
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (CID 106341586) is 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cc(Cl)nc(COC)n1.
What is the InChIKey of 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The InChIKey is OIWPKGRDKKKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-3-13-19(16,17)5-4-12-9-6-8(11)14-10(15-9)7-18-2/h6,13H,3-5,7H2,1-2H3,(H,12,14,15).
What are the key properties of 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).