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

C19H25N7O2S — CID 122325898

IUPAC1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(CC)c(C)n3)cc2)n1
InChIInChI=1S/C19H25N7O2S/c1-5-20-19-21-13(3)11-17(24-19)23-15-7-9-16(10-8-15)25-29(27,28)18-12-26(6-2)14(4)22-18/h7-12,25H,5-6H2,1-4H3,(H2,20,21,23,24)
InChIKeyZSSWNXWEHAQXDG-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.29
Rot. Bonds8

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

1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide (PubChem CID 122325898) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide
PubChem CID122325898
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC Name1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(CC)c(C)n3)cc2)n1
InChIInChI=1S/C19H25N7O2S/c1-5-20-19-21-13(3)11-17(24-19)23-15-7-9-16(10-8-15)25-29(27,28)18-12-26(6-2)14(4)22-18/h7-12,25H,5-6H2,1-4H3,(H2,20,21,23,24)
InChIKeyZSSWNXWEHAQXDG-UHFFFAOYSA-N
XLogP3.29
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122325891
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 53048200
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122287168
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
1-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122296255
1-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122286920
N-[3-(aminomethyl)-4-fluorophenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62316776
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide
CID 18566793
2,5-dichloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 121032391
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
CID 80821858

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide (CID 122325898) is 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide is CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(CC)c(C)n3)cc2)n1.
What is the InChIKey of 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is ZSSWNXWEHAQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-5-20-19-21-13(3)11-17(24-19)23-15-7-9-16(10-8-15)25-29(27,28)18-12-26(6-2)14(4)22-18/h7-12,25H,5-6H2,1-4H3,(H2,20,21,23,24).
What are the key properties of 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122325898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).