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

C15H18N8O2S — CID 122314441

IUPAC1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)c1
InChIInChI=1S/C15H18N8O2S/c1-23-9-15(20-11-23)26(24,25)21-7-6-17-13-8-14(19-10-18-13)22-12-4-2-3-5-16-12/h2-5,8-11,21H,6-7H2,1H3,(H2,16,17,18,19,22)
InChIKeyIVGALULNAGXPPU-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.74
Rot. Bonds8

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

1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122314441) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
PubChem CID122314441
Molecular FormulaC15H18N8O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)c1
InChIInChI=1S/C15H18N8O2S/c1-23-9-15(20-11-23)26(24,25)21-7-6-17-13-8-14(19-10-18-13)22-12-4-2-3-5-16-12/h2-5,8-11,21H,6-7H2,1H3,(H2,16,17,18,19,22)
InChIKeyIVGALULNAGXPPU-UHFFFAOYSA-N
XLogP0.74
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122315280
3,5-difluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122314427
3-methyl-2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzoxazole-5-sulfonamide
CID 122314444
4-phenoxy-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122314206
2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide
CID 122314407
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
1-(2,5-difluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122314431
6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115263939
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-methylimidazole-4-sulfonamide
CID 122325559
N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide (CID 122314441) is 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)c1.
What is the InChIKey of 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is IVGALULNAGXPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-23-9-15(20-11-23)26(24,25)21-7-6-17-13-8-14(19-10-18-13)22-12-4-2-3-5-16-12/h2-5,8-11,21H,6-7H2,1H3,(H2,16,17,18,19,22).
What are the key properties of 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 374.43 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122314441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).