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

C20H20N8O2S — CID 122316115

IUPAC1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1C
InChIInChI=1S/C20H20N8O2S/c1-14-24-20(12-28(14)2)31(29,30)27-16-8-6-15(7-9-16)25-18-11-19(23-13-22-18)26-17-5-3-4-10-21-17/h3-13,27H,1-2H3,(H2,21,22,23,25,26)
InChIKeyBPAOGCKMGAOSDM-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.20
Rot. Bonds7

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

1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide (PubChem CID 122316115) has the molecular formula C20H20N8O2S and a molecular weight of 436.50 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
PubChem CID122316115
Molecular FormulaC20H20N8O2S
Molecular Weight436.50 g/mol
Exact Mass436.14
IUPAC Name1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1C
InChIInChI=1S/C20H20N8O2S/c1-14-24-20(12-28(14)2)31(29,30)27-16-8-6-15(7-9-16)25-18-11-19(23-13-22-18)26-17-5-3-4-10-21-17/h3-13,27H,1-2H3,(H2,21,22,23,25,26)
InChIKeyBPAOGCKMGAOSDM-UHFFFAOYSA-N
XLogP3.20
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
4-iodo-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122317368
1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide
CID 122317325
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122287168
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122317343
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 47092092
2-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122316108
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide (CID 122316115) is 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(Nc3cc(Nc4ccccn4)ncn3)cc2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide?
The InChIKey is BPAOGCKMGAOSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2S/c1-14-24-20(12-28(14)2)31(29,30)27-16-8-6-15(7-9-16)25-18-11-19(23-13-22-18)26-17-5-3-4-10-21-17/h3-13,27H,1-2H3,(H2,21,22,23,25,26).
What are the key properties of 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide has a molecular weight of 436.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122316115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).