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

C14H18N8O2S — CID 122290022

IUPAC1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cn(C)cn2)cc(-n2cccn2)n1
InChIInChI=1S/C14H18N8O2S/c1-11-19-12(8-13(20-11)22-7-3-4-17-22)15-5-6-18-25(23,24)14-9-21(2)10-16-14/h3-4,7-10,18H,5-6H2,1-2H3,(H,15,19,20)
InChIKeyTYFMIVFWTHRJDO-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.09
Rot. Bonds7

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

1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122290022) has the molecular formula C14H18N8O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
PubChem CID122290022
Molecular FormulaC14H18N8O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cn(C)cn2)cc(-n2cccn2)n1
InChIInChI=1S/C14H18N8O2S/c1-11-19-12(8-13(20-11)22-7-3-4-17-22)15-5-6-18-25(23,24)14-9-21(2)10-16-14/h3-4,7-10,18H,5-6H2,1-2H3,(H,15,19,20)
InChIKeyTYFMIVFWTHRJDO-UHFFFAOYSA-N
XLogP0.09
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide (CID 122290022) is 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is Cc1nc(NCCNS(=O)(=O)c2cn(C)cn2)cc(-n2cccn2)n1.
What is the InChIKey of 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is TYFMIVFWTHRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2S/c1-11-19-12(8-13(20-11)22-7-3-4-17-22)15-5-6-18-25(23,24)14-9-21(2)10-16-14/h3-4,7-10,18H,5-6H2,1-2H3,(H,15,19,20).
What are the key properties of 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 362.42 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122290022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).