2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C14H25N5O3S — CID 50957598

IUPAC2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cc(NCCS(=O)(=O)N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O3S/c1-4-12-11-13(15-5-10-23(20,21)18(2)3)17-14(16-12)19-6-8-22-9-7-19/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVFSBHKGXLRGCPV-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.18
Rot. Bonds7

About 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 50957598) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID50957598
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cc(NCCS(=O)(=O)N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O3S/c1-4-12-11-13(15-5-10-23(20,21)18(2)3)17-14(16-12)19-6-8-22-9-7-19/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVFSBHKGXLRGCPV-UHFFFAOYSA-N
XLogP0.18
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 50957598) is 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CCc1cc(NCCS(=O)(=O)N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is VFSBHKGXLRGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-12-11-13(15-5-10-23(20,21)18(2)3)17-14(16-12)19-6-8-22-9-7-19/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 50957598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).