N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide

C13H21N7O2S — CID 122325559

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C13H21N7O2S/c1-4-14-13-18-10(2)7-11(19-13)15-5-6-17-23(21,22)12-8-20(3)9-16-12/h7-9,17H,4-6H2,1-3H3,(H2,14,15,18,19)
InChIKeyQQRUPSMYKWDBSU-UHFFFAOYSA-N
MW339.43 g/mol
LogP0.34
Rot. Bonds8

About N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 122325559) has the molecular formula C13H21N7O2S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID122325559
Molecular FormulaC13H21N7O2S
Molecular Weight339.43 g/mol
Exact Mass339.15
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C13H21N7O2S/c1-4-14-13-18-10(2)7-11(19-13)15-5-6-17-23(21,22)12-8-20(3)9-16-12/h7-9,17H,4-6H2,1-3H3,(H2,14,15,18,19)
InChIKeyQQRUPSMYKWDBSU-UHFFFAOYSA-N
XLogP0.34
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
1-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122326618
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 70703471
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide
CID 122325596
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325341
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122325620
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-difluorobenzenesulfonamide
CID 122324741
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide (CID 122325559) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide is CCNc1nc(C)cc(NCCNS(=O)(=O)c2cn(C)cn2)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is QQRUPSMYKWDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2S/c1-4-14-13-18-10(2)7-11(19-13)15-5-6-17-23(21,22)12-8-20(3)9-16-12/h7-9,17H,4-6H2,1-3H3,(H2,14,15,18,19).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 339.43 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122325559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).