UCSF

ZINC00967323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 8 Yes

Popular Name: 4,6-DIAMINOPYRIMIDINE 4,6-DIAMINOPYRIMIDINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 207226-28-6 , 2434-56-2 , 5468-67-7 , 77709-02-5 , [2434-56-2]

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) -0.56 0.06 -6.08 4 4 0 78 110.12 0 ↓
Lo Low (pH 4.5-6) -0.56 0.64 -102.58 6 4 2 80 112.136 0 ↓
Lo Low (pH 4.5-6) -0.56 0.36 -29.72 5 4 1 79 111.128 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 243 - 244 Acros Organics
MP 271 TCI
Purity 95% Fluorochem
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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