UCSF

ZINC00165356

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 4-aminopyrimidine-5-carbonitrile 4-aminopyrimidine-5-carbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16357-69-0 , [16357-69-0]

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) -0.65 1.72 -5.41 2 4 0 76 120.115 0 ↓
Lo Low (pH 4.5-6) -0.65 -1.71 -34.78 3 4 1 77 121.123 0 ↓
Lo Low (pH 4.5-6) -0.65 2 -40.38 3 4 1 77 121.123 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 247 - 249 Enamine Building Blocks
MP 247...249 Enamine Building Blocks
Melting_Point 255? Alfa-Aesar
Melting_Point 255° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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

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