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

C19H25N7O2S — CID 122325891

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)n1
InChIInChI=1S/C19H25N7O2S/c1-5-20-19-22-14(4)10-17(24-19)23-15-6-8-16(9-7-15)25-29(27,28)18-11-26(12-21-18)13(2)3/h6-13,25H,5H2,1-4H3,(H2,20,22,23,24)
InChIKeyYTAACRGUGKQSIQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.54
Rot. Bonds8

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

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122325891) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID122325891
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)n1
InChIInChI=1S/C19H25N7O2S/c1-5-20-19-22-14(4)10-17(24-19)23-15-6-8-16(9-7-15)25-29(27,28)18-11-26(12-21-18)13(2)3/h6-13,25H,5H2,1-4H3,(H2,20,22,23,24)
InChIKeyYTAACRGUGKQSIQ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide
CID 122325898
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 53048200
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-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
CID 122325559
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-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126831250
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-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 166182008
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
CID 80821858

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 122325891) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide is CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is YTAACRGUGKQSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-5-20-19-22-14(4)10-17(24-19)23-15-6-8-16(9-7-15)25-29(27,28)18-11-26(12-21-18)13(2)3/h6-13,25H,5H2,1-4H3,(H2,20,22,23,24).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122325891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).