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

C17H27N7O2S — CID 122294040

IUPAC1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)nc1C
InChIInChI=1S/C17H27N7O2S/c1-4-23-12-17(22-14(23)3)27(25,26)19-8-7-18-15-11-16(21-13(2)20-15)24-9-5-6-10-24/h11-12,19H,4-10H2,1-3H3,(H,18,20,21)
InChIKeyBXABNVRYQMQJFW-UHFFFAOYSA-N
MW393.52 g/mol
LogP1.30
Rot. Bonds8

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

1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122294040) has the molecular formula C17H27N7O2S and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
PubChem CID122294040
Molecular FormulaC17H27N7O2S
Molecular Weight393.52 g/mol
Exact Mass393.19
IUPAC Name1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)nc1C
InChIInChI=1S/C17H27N7O2S/c1-4-23-12-17(22-14(23)3)27(25,26)19-8-7-18-15-11-16(21-13(2)20-15)24-9-5-6-10-24/h11-12,19H,4-10H2,1-3H3,(H,18,20,21)
InChIKeyBXABNVRYQMQJFW-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294298
1-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122326618
1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317998
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
2-methoxy-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122294053
2-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122326649
1-ethyl-2-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122321748
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122294028
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074870
1,2-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294548
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122326376

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (CID 122294040) is 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is BXABNVRYQMQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2S/c1-4-23-12-17(22-14(23)3)27(25,26)19-8-7-18-15-11-16(21-13(2)20-15)24-9-5-6-10-24/h11-12,19H,4-10H2,1-3H3,(H,18,20,21).
What are the key properties of 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 393.52 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122294040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).