UCSF

ZINC14007733

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 21 Yes

Popular Name: tert-butyl 4-(6-chloro-2-methyl-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxylate tert-butyl 4-(6-chloro-2-methyl-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 203519-37-3 , [203519-37-3]

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) 2.27 6.04 -7.55 0 6 0 59 312.801 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.170000000000000e+002 - 1.190000000000000e+002 KeyOrganics
melting_point 117 - 119 KeyOrganics
MP 117-119° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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