1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide

C17H27N7O2S — CID 122327759

IUPAC1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)cn1C
InChIInChI=1S/C17H27N7O2S/c1-13(2)17-22-16(11-23(17)3)27(25,26)21-7-6-18-14-10-15(20-12-19-14)24-8-4-5-9-24/h10-13,21H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyGOJVMIMIJHJECK-UHFFFAOYSA-N
MW393.52 g/mol
LogP1.32
Rot. Bonds8

About 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide

1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122327759) has the molecular formula C17H27N7O2S and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
PubChem CID122327759
Molecular FormulaC17H27N7O2S
Molecular Weight393.52 g/mol
Exact Mass393.19
IUPAC Name1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)cn1C
InChIInChI=1S/C17H27N7O2S/c1-13(2)17-22-16(11-23(17)3)27(25,26)21-7-6-18-14-10-15(20-12-19-14)24-8-4-5-9-24/h10-13,21H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyGOJVMIMIJHJECK-UHFFFAOYSA-N
XLogP1.32
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-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-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122328885
1-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327738
1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317619
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122290309
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-1-sulfonamide
CID 122327764
4-methyl-3,5-dinitro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327789
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
4-cyano-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327763
1-ethyl-3,5-dimethyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 122327740
1-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122326618
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
1,2-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (CID 122327759) is 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)cn1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is GOJVMIMIJHJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2S/c1-13(2)17-22-16(11-23(17)3)27(25,26)21-7-6-18-14-10-15(20-12-19-14)24-8-4-5-9-24/h10-13,21H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 393.52 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).