UCSF

ZINC00154215

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: N-(4,6-Dimethylpyrimidin-2-yl)-N-methylbenzene-1,4-diamine N-(4,6-Dimethylpyrimidin-2-yl)-N…

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CAS Numbers: 220844-79-1 , [220844-79-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 7.58 -8.26 2 4 0 55 228.299 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 121-123° Oakwood Chemical
MP 134 - 136° Fluorochem
MP 134-136° Matrix Scientific
Purity 95%+ Fluorochem
Warnings Irritant Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.