1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide

C17H22N8O2S — CID 122315280

IUPAC1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cn(C)c(C)n2)cc(Nc2ccccn2)n1
InChIInChI=1S/C17H22N8O2S/c1-12-21-15(10-16(22-12)24-14-6-4-5-7-18-14)19-8-9-20-28(26,27)17-11-25(3)13(2)23-17/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,19,21,22,24)
InChIKeyHZYQNWRUZAXCKE-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.36
Rot. Bonds8

About 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122315280) has the molecular formula C17H22N8O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
PubChem CID122315280
Molecular FormulaC17H22N8O2S
Molecular Weight402.48 g/mol
Exact Mass402.16
IUPAC Name1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2cn(C)c(C)n2)cc(Nc2ccccn2)n1
InChIInChI=1S/C17H22N8O2S/c1-12-21-15(10-16(22-12)24-14-6-4-5-7-18-14)19-8-9-20-28(26,27)17-11-25(3)13(2)23-17/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,19,21,22,24)
InChIKeyHZYQNWRUZAXCKE-UHFFFAOYSA-N
XLogP1.36
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide with MolForge

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Related Compounds

4-ethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122315030
1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122314441
1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
CID 122316115
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
2-methoxy-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314926
2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314928
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122315126
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
CID 122315229
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122315452
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide (CID 122315280) is 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide is Cc1nc(NCCNS(=O)(=O)c2cn(C)c(C)n2)cc(Nc2ccccn2)n1.
What is the InChIKey of 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is HZYQNWRUZAXCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2S/c1-12-21-15(10-16(22-12)24-14-6-4-5-7-18-14)19-8-9-20-28(26,27)17-11-25(3)13(2)23-17/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,19,21,22,24).
What are the key properties of 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122315280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).