N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide

C13H23N5O3S — CID 121075524

IUPACN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O3S/c1-3-22(19,20)15-5-4-14-13-16-11(2)10-12(17-13)18-6-8-21-9-7-18/h10,15H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyOGFMRRFPLIXGLT-UHFFFAOYSA-N
MW329.43 g/mol
LogP-0.03
Rot. Bonds7

About N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide (PubChem CID 121075524) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
PubChem CID121075524
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O3S/c1-3-22(19,20)15-5-4-14-13-16-11(2)10-12(17-13)18-6-8-21-9-7-18/h10,15H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyOGFMRRFPLIXGLT-UHFFFAOYSA-N
XLogP-0.03
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]butane-1-sulfonamide
CID 121075534
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide
CID 122295284
4-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075504
3-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075503
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
CID 121075385
4-butoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075509
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
2-[2-(dimethylsulfamoylamino)ethylamino]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 121075493
1-(4-methylphenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295053
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide (CID 121075524) is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide?
The InChIKey is OGFMRRFPLIXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-3-22(19,20)15-5-4-14-13-16-11(2)10-12(17-13)18-6-8-21-9-7-18/h10,15H,3-9H2,1-2H3,(H,14,16,17).
What are the key properties of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide?
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 121075524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).